4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;6-propan-2-yl-6-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azaspiro[5.5]undecane;8-propan-2-yl-2,8-diazaspiro[4.5]decane;1-propan-2-yl-1,4-diazepane;4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidine-4-carboxylic acid;(3R)-1-propan-2-ylpiperidine-3-carboxylic acid;(3S)-1-propan-2-ylpiperidine-3-carboxylic acid;(1-propan-2-ylpiperidin-4-yl)methanamine;(3R)-1-propan-2-ylpyrrolidin-3-amine;(3S)-1-propan-2-ylpyrrolidin-3-amine

C197H382N28O8 — CID 159030026

IUPAC4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;6-propan-2-yl-6-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azaspiro[5.5]undecane;8-propan-2-yl-2,8-diazaspiro[4.5]decane;1-propan-2-yl-1,4-diazepane;4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidine-4-carboxylic acid;(3R)-1-propan-2-ylpiperidine-3-carboxylic acid;(3S)-1-propan-2-ylpiperidine-3-carboxylic acid;(1-propan-2-ylpiperidin-4-yl)methanamine;(3R)-1-propan-2-ylpyrrolidin-3-amine;(3S)-1-propan-2-ylpyrrolidin-3-amine
SMILESCC(C)N1CC2CCCC1C2.CC(C)N1CC2CCCCC2C1.CC(C)N1CCC(C(=O)O)CC1.CC(C)N1CCC(CN)CC1.CC(C)N1CCC2(CCNC2)CC1.CC(C)N1CCC2CCCCC2C1.CC(C)N1CCCC2(CCCCC2)C1.CC(C)N1CCCC2CCCCC21.CC(C)N1CCCCC1.CC(C)N1CCCNCC1.CC(C)N1CCC[C@@H](C(=O)O)C1.CC(C)N1CCC[C@H](C(=O)O)C1.CC(C)N1CCCc2ccccc21.CC(C)N1CCN2CCCC2C1.CC(C)N1CCN2CCCCC2C1.CC(C)N1CCNCC1.CC(C)N1CCOC2CCCCC21.CC(C)N1CCOc2ccccc21.CC(C)N1CC[C@@H](N)C1.CC(C)N1CC[C@H](N)C1
InChIInChI=1S/C13H25N.C12H23N.C12H17N.C12H23N.2C11H22N2.C11H21NO.C11H15NO.C11H21N.C10H20N2.C10H19N.C9H20N2.3C9H17NO2.C8H18N2.C8H17N.3C7H16N2/c1-12(2)14-10-6-9-13(11-14)7-4-3-5-8-13;2*1-10(2)13-9-5-7-11-6-3-4-8-12(11)13;1-10(2)13-8-7-11-5-3-4-6-12(11)9-13;1-10(2)13-7-4-11(5-8-13)3-6-12-9-11;1-10(2)13-8-7-12-6-4-3-5-11(12)9-13;2*1-9(2)12-7-8-13-11-6-4-3-5-10(11)12;1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-9(2)12-7-6-11-5-3-4-10(11)8-12;1-8(2)11-7-9-4-3-5-10(11)6-9;1-8(2)11-5-3-9(7-10)4-6-11;1-7(2)10-5-3-8(4-6-10)9(11)12;2*1-7(2)10-5-3-4-8(6-10)9(11)12;1-8(2)10-6-3-4-9-5-7-10;1-8(2)9-6-4-3-5-7-9;1-7(2)9-5-3-8-4-6-9;2*1-6(2)9-4-3-7(8)5-9/h12H,3-11H2,1-2H3;10-12H,3-9H2,1-2H3;3-4,6,8,10H,5,7,9H2,1-2H3;10-12H,3-9H2,1-2H3;10,12H,3-9H2,1-2H3;10-11H,3-9H2,1-2H3;9-11H,3-8H2,1-2H3;3-6,9H,7-8H2,1-2H3;9-11H,3-8H2,1-2H3;9-10H,3-8H2,1-2H3;8-10H,3-7H2,1-2H3;8-9H,3-7,10H2,1-2H3;3*7-8H,3-6H2,1-2H3,(H,11,12);8-9H,3-7H2,1-2H3;8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;2*6-7H,3-5,8H2,1-2H3/t;;;;;;;;;;;;;2*8-;;;;2*7-/m.............10...10/s1
InChIKeyJUTOPBJRRWXRHW-VFMQHOOFSA-N
MW3271.41 g/mol
LogP33.94
Rot. Bonds24

About 4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;6-propan-2-yl-6-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azaspiro[5.5]undecane;8-propan-2-yl-2,8-diazaspiro[4.5]decane;1-propan-2-yl-1,4-diazepane;4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidine-4-carboxylic acid;(3R)-1-propan-2-ylpiperidine-3-carboxylic acid;(3S)-1-propan-2-ylpiperidine-3-carboxylic acid;(1-propan-2-ylpiperidin-4-yl)methanamine;(3R)-1-propan-2-ylpyrrolidin-3-amine;(3S)-1-propan-2-ylpyrrolidin-3-amine

4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;6-propan-2-yl-6-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azaspiro[5.5]undecane;8-propan-2-yl-2,8-diazaspiro[4.5]decane;1-propan-2-yl-1,4-diazepane;4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidine-4-carboxylic acid;(3R)-1-propan-2-ylpiperidine-3-carboxylic acid;(3S)-1-propan-2-ylpiperidine-3-carboxylic acid;(1-propan-2-ylpiperidin-4-yl)methanamine;(3R)-1-propan-2-ylpyrrolidin-3-amine;(3S)-1-propan-2-ylpyrrolidin-3-amine (PubChem CID 159030026) has the molecular formula C197H382N28O8 and a molecular weight of 3271.41 g/mol. Its IUPAC name is 4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;6-propan-2-yl-6-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azaspiro[5.5]undecane;8-propan-2-yl-2,8-diazaspiro[4.5]decane;1-propan-2-yl-1,4-diazepane;4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidine-4-carboxylic acid;(3R)-1-propan-2-ylpiperidine-3-carboxylic acid;(3S)-1-propan-2-ylpiperidine-3-carboxylic acid;(1-propan-2-ylpiperidin-4-yl)methanamine;(3R)-1-propan-2-ylpyrrolidin-3-amine;(3S)-1-propan-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound Name4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;6-propan-2-yl-6-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azaspiro[5.5]undecane;8-propan-2-yl-2,8-diazaspiro[4.5]decane;1-propan-2-yl-1,4-diazepane;4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidine-4-carboxylic acid;(3R)-1-propan-2-ylpiperidine-3-carboxylic acid;(3S)-1-propan-2-ylpiperidine-3-carboxylic acid;(1-propan-2-ylpiperidin-4-yl)methanamine;(3R)-1-propan-2-ylpyrrolidin-3-amine;(3S)-1-propan-2-ylpyrrolidin-3-amine
PubChem CID159030026
Molecular FormulaC197H382N28O8
Molecular Weight3271.41 g/mol
Exact Mass3269.03
IUPAC Name4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;6-propan-2-yl-6-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azaspiro[5.5]undecane;8-propan-2-yl-2,8-diazaspiro[4.5]decane;1-propan-2-yl-1,4-diazepane;4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidine-4-carboxylic acid;(3R)-1-propan-2-ylpiperidine-3-carboxylic acid;(3S)-1-propan-2-ylpiperidine-3-carboxylic acid;(1-propan-2-ylpiperidin-4-yl)methanamine;(3R)-1-propan-2-ylpyrrolidin-3-amine;(3S)-1-propan-2-ylpyrrolidin-3-amine
SMILESCC(C)N1CC2CCCC1C2.CC(C)N1CC2CCCCC2C1.CC(C)N1CCC(C(=O)O)CC1.CC(C)N1CCC(CN)CC1.CC(C)N1CCC2(CCNC2)CC1.CC(C)N1CCC2CCCCC2C1.CC(C)N1CCCC2(CCCCC2)C1.CC(C)N1CCCC2CCCCC21.CC(C)N1CCCCC1.CC(C)N1CCCNCC1.CC(C)N1CCC[C@@H](C(=O)O)C1.CC(C)N1CCC[C@H](C(=O)O)C1.CC(C)N1CCCc2ccccc21.CC(C)N1CCN2CCCC2C1.CC(C)N1CCN2CCCCC2C1.CC(C)N1CCNCC1.CC(C)N1CCOC2CCCCC21.CC(C)N1CCOc2ccccc21.CC(C)N1CC[C@@H](N)C1.CC(C)N1CC[C@H](N)C1
InChIInChI=1S/C13H25N.C12H23N.C12H17N.C12H23N.2C11H22N2.C11H21NO.C11H15NO.C11H21N.C10H20N2.C10H19N.C9H20N2.3C9H17NO2.C8H18N2.C8H17N.3C7H16N2/c1-12(2)14-10-6-9-13(11-14)7-4-3-5-8-13;2*1-10(2)13-9-5-7-11-6-3-4-8-12(11)13;1-10(2)13-8-7-11-5-3-4-6-12(11)9-13;1-10(2)13-7-4-11(5-8-13)3-6-12-9-11;1-10(2)13-8-7-12-6-4-3-5-11(12)9-13;2*1-9(2)12-7-8-13-11-6-4-3-5-10(11)12;1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-9(2)12-7-6-11-5-3-4-10(11)8-12;1-8(2)11-7-9-4-3-5-10(11)6-9;1-8(2)11-5-3-9(7-10)4-6-11;1-7(2)10-5-3-8(4-6-10)9(11)12;2*1-7(2)10-5-3-4-8(6-10)9(11)12;1-8(2)10-6-3-4-9-5-7-10;1-8(2)9-6-4-3-5-7-9;1-7(2)9-5-3-8-4-6-9;2*1-6(2)9-4-3-7(8)5-9/h12H,3-11H2,1-2H3;10-12H,3-9H2,1-2H3;3-4,6,8,10H,5,7,9H2,1-2H3;10-12H,3-9H2,1-2H3;10,12H,3-9H2,1-2H3;10-11H,3-9H2,1-2H3;9-11H,3-8H2,1-2H3;3-6,9H,7-8H2,1-2H3;9-11H,3-8H2,1-2H3;9-10H,3-8H2,1-2H3;8-10H,3-7H2,1-2H3;8-9H,3-7,10H2,1-2H3;3*7-8H,3-6H2,1-2H3,(H,11,12);8-9H,3-7H2,1-2H3;8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;2*6-7H,3-5,8H2,1-2H3/t;;;;;;;;;;;;;2*8-;;;;2*7-/m.............10...10/s1
InChIKeyJUTOPBJRRWXRHW-VFMQHOOFSA-N
XLogP33.94
TPSA315.79 Ų
H-Bond Donors9
H-Bond Acceptors33
Rotatable Bonds24
Heavy Atoms233
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003271.41
LogP ≤ 533.94
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1033

Analyze 4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;6-propan-2-yl-6-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azaspiro[5.5]undecane;8-propan-2-yl-2,8-diazaspiro[4.5]decane;1-propan-2-yl-1,4-diazepane;4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidine-4-carboxylic acid;(3R)-1-propan-2-ylpiperidine-3-carboxylic acid;(3S)-1-propan-2-ylpiperidine-3-carboxylic acid;(1-propan-2-ylpiperidin-4-yl)methanamine;(3R)-1-propan-2-ylpyrrolidin-3-amine;(3S)-1-propan-2-ylpyrrolidin-3-amine with MolForge

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Launch Full Analysis

Related Compounds

CID 157504592
CID 157504592
CID 157514709
CID 157514709
4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;3-propan-2-yl-8-azabicyclo[3.2.1]octane;6-propan-2-yl-6-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azaspiro[5.5]undecane;1-propan-2-yl-1,4-diazepane;4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-propan-2-yl-3,4-dihydro-2H-quinoline
CID 157641012
1-benzyl-2-methylidene-4-propan-2-ylpiperazine;2-benzyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;N,N-diethyl-1-propan-2-ylpiperidine-3-carboxamide;2,6-dimethyl-4-propan-2-ylmorpholine;3,3-dimethyl-1-propan-2-ylpiperidine;4-ethyl-1-propan-2-ylpiperidine;1-(2-methoxyphenyl)-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperidine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;2-methyl-1-propan-2-ylpyrrolidine;oxolan-2-yl-(4-propan-2-ylpiperazin-1-yl)methanone;4-phenyl-1-propan-2-ylpiperidin-4-ol;1-propan-2-ylazepane;1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-yl-3,4-dihydro-2H-quinoline;N-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)acetamide;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-3-ol
CID 159021722
CID 160032827
CID 160032827
1-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;4-tert-butyl-2,3-dihydro-1,4-benzoxazine;1-tert-butyl-3,4-dihydro-2H-quinoline;1-tert-butyl-3,4-dihydro-2H-quinolin-8-ol;1-tert-butyl-4,4-dimethyl-2,3-dihydroquinoline;1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-4-methyl-3,4-dihydro-2H-quinoline;1-tert-butyl-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol;1-tert-butylspiro[2,3-dihydroquinoline-4,2'-oxolane];1-tert-butylspiro[2,3-dihydroquinoline-4,3'-oxolane];1-tert-butylspiro[2H-indole-3,2'-oxolane];1-tert-butylspiro[2H-indole-3,3'-oxolane];1-tert-butylspiro[2H-indole-3,4'-piperidine];1-(1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanone;1-tert-butyl-2,3,4,5-tetrahydro-1-benzazepine
CID 160469825
4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;6-propan-2-yl-6-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azaspiro[5.5]undecane;1-propan-2-yl-1,4-diazepane;4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-propan-2-yl-3,4-dihydro-2H-quinoline
CID 162217180

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;6-propan-2-yl-6-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azaspiro[5.5]undecane;8-propan-2-yl-2,8-diazaspiro[4.5]decane;1-propan-2-yl-1,4-diazepane;4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidine-4-carboxylic acid;(3R)-1-propan-2-ylpiperidine-3-carboxylic acid;(3S)-1-propan-2-ylpiperidine-3-carboxylic acid;(1-propan-2-ylpiperidin-4-yl)methanamine;(3R)-1-propan-2-ylpyrrolidin-3-amine;(3S)-1-propan-2-ylpyrrolidin-3-amine?
The IUPAC name of 4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;6-propan-2-yl-6-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azaspiro[5.5]undecane;8-propan-2-yl-2,8-diazaspiro[4.5]decane;1-propan-2-yl-1,4-diazepane;4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidine-4-carboxylic acid;(3R)-1-propan-2-ylpiperidine-3-carboxylic acid;(3S)-1-propan-2-ylpiperidine-3-carboxylic acid;(1-propan-2-ylpiperidin-4-yl)methanamine;(3R)-1-propan-2-ylpyrrolidin-3-amine;(3S)-1-propan-2-ylpyrrolidin-3-amine (CID 159030026) is 4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;6-propan-2-yl-6-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azaspiro[5.5]undecane;8-propan-2-yl-2,8-diazaspiro[4.5]decane;1-propan-2-yl-1,4-diazepane;4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidine-4-carboxylic acid;(3R)-1-propan-2-ylpiperidine-3-carboxylic acid;(3S)-1-propan-2-ylpiperidine-3-carboxylic acid;(1-propan-2-ylpiperidin-4-yl)methanamine;(3R)-1-propan-2-ylpyrrolidin-3-amine;(3S)-1-propan-2-ylpyrrolidin-3-amine.
What is the SMILES notation for 4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;6-propan-2-yl-6-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azaspiro[5.5]undecane;8-propan-2-yl-2,8-diazaspiro[4.5]decane;1-propan-2-yl-1,4-diazepane;4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidine-4-carboxylic acid;(3R)-1-propan-2-ylpiperidine-3-carboxylic acid;(3S)-1-propan-2-ylpiperidine-3-carboxylic acid;(1-propan-2-ylpiperidin-4-yl)methanamine;(3R)-1-propan-2-ylpyrrolidin-3-amine;(3S)-1-propan-2-ylpyrrolidin-3-amine?
The canonical SMILES for 4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;6-propan-2-yl-6-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azaspiro[5.5]undecane;8-propan-2-yl-2,8-diazaspiro[4.5]decane;1-propan-2-yl-1,4-diazepane;4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidine-4-carboxylic acid;(3R)-1-propan-2-ylpiperidine-3-carboxylic acid;(3S)-1-propan-2-ylpiperidine-3-carboxylic acid;(1-propan-2-ylpiperidin-4-yl)methanamine;(3R)-1-propan-2-ylpyrrolidin-3-amine;(3S)-1-propan-2-ylpyrrolidin-3-amine is CC(C)N1CC2CCCC1C2.CC(C)N1CC2CCCCC2C1.CC(C)N1CCC(C(=O)O)CC1.CC(C)N1CCC(CN)CC1.CC(C)N1CCC2(CCNC2)CC1.CC(C)N1CCC2CCCCC2C1.CC(C)N1CCCC2(CCCCC2)C1.CC(C)N1CCCC2CCCCC21.CC(C)N1CCCCC1.CC(C)N1CCCNCC1.CC(C)N1CCC[C@@H](C(=O)O)C1.CC(C)N1CCC[C@H](C(=O)O)C1.CC(C)N1CCCc2ccccc21.CC(C)N1CCN2CCCC2C1.CC(C)N1CCN2CCCCC2C1.CC(C)N1CCNCC1.CC(C)N1CCOC2CCCCC21.CC(C)N1CCOc2ccccc21.CC(C)N1CC[C@@H](N)C1.CC(C)N1CC[C@H](N)C1.
What is the InChIKey of 4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;6-propan-2-yl-6-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azaspiro[5.5]undecane;8-propan-2-yl-2,8-diazaspiro[4.5]decane;1-propan-2-yl-1,4-diazepane;4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidine-4-carboxylic acid;(3R)-1-propan-2-ylpiperidine-3-carboxylic acid;(3S)-1-propan-2-ylpiperidine-3-carboxylic acid;(1-propan-2-ylpiperidin-4-yl)methanamine;(3R)-1-propan-2-ylpyrrolidin-3-amine;(3S)-1-propan-2-ylpyrrolidin-3-amine?
The InChIKey is JUTOPBJRRWXRHW-VFMQHOOFSA-N. The full InChI is InChI=1S/C13H25N.C12H23N.C12H17N.C12H23N.2C11H22N2.C11H21NO.C11H15NO.C11H21N.C10H20N2.C10H19N.C9H20N2.3C9H17NO2.C8H18N2.C8H17N.3C7H16N2/c1-12(2)14-10-6-9-13(11-14)7-4-3-5-8-13;2*1-10(2)13-9-5-7-11-6-3-4-8-12(11)13;1-10(2)13-8-7-11-5-3-4-6-12(11)9-13;1-10(2)13-7-4-11(5-8-13)3-6-12-9-11;1-10(2)13-8-7-12-6-4-3-5-11(12)9-13;2*1-9(2)12-7-8-13-11-6-4-3-5-10(11)12;1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-9(2)12-7-6-11-5-3-4-10(11)8-12;1-8(2)11-7-9-4-3-5-10(11)6-9;1-8(2)11-5-3-9(7-10)4-6-11;1-7(2)10-5-3-8(4-6-10)9(11)12;2*1-7(2)10-5-3-4-8(6-10)9(11)12;1-8(2)10-6-3-4-9-5-7-10;1-8(2)9-6-4-3-5-7-9;1-7(2)9-5-3-8-4-6-9;2*1-6(2)9-4-3-7(8)5-9/h12H,3-11H2,1-2H3;10-12H,3-9H2,1-2H3;3-4,6,8,10H,5,7,9H2,1-2H3;10-12H,3-9H2,1-2H3;10,12H,3-9H2,1-2H3;10-11H,3-9H2,1-2H3;9-11H,3-8H2,1-2H3;3-6,9H,7-8H2,1-2H3;9-11H,3-8H2,1-2H3;9-10H,3-8H2,1-2H3;8-10H,3-7H2,1-2H3;8-9H,3-7,10H2,1-2H3;3*7-8H,3-6H2,1-2H3,(H,11,12);8-9H,3-7H2,1-2H3;8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;2*6-7H,3-5,8H2,1-2H3/t;;;;;;;;;;;;;2*8-;;;;2*7-/m.............10...10/s1.
What are the key properties of 4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;6-propan-2-yl-6-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azaspiro[5.5]undecane;8-propan-2-yl-2,8-diazaspiro[4.5]decane;1-propan-2-yl-1,4-diazepane;4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidine-4-carboxylic acid;(3R)-1-propan-2-ylpiperidine-3-carboxylic acid;(3S)-1-propan-2-ylpiperidine-3-carboxylic acid;(1-propan-2-ylpiperidin-4-yl)methanamine;(3R)-1-propan-2-ylpyrrolidin-3-amine;(3S)-1-propan-2-ylpyrrolidin-3-amine?
4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;6-propan-2-yl-6-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azaspiro[5.5]undecane;8-propan-2-yl-2,8-diazaspiro[4.5]decane;1-propan-2-yl-1,4-diazepane;4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidine-4-carboxylic acid;(3R)-1-propan-2-ylpiperidine-3-carboxylic acid;(3S)-1-propan-2-ylpiperidine-3-carboxylic acid;(1-propan-2-ylpiperidin-4-yl)methanamine;(3R)-1-propan-2-ylpyrrolidin-3-amine;(3S)-1-propan-2-ylpyrrolidin-3-amine has a molecular weight of 3271.41 g/mol, XLogP of 33.94, 24 rotatable bonds, 9 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;6-propan-2-yl-6-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azaspiro[5.5]undecane;8-propan-2-yl-2,8-diazaspiro[4.5]decane;1-propan-2-yl-1,4-diazepane;4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidine-4-carboxylic acid;(3R)-1-propan-2-ylpiperidine-3-carboxylic acid;(3S)-1-propan-2-ylpiperidine-3-carboxylic acid;(1-propan-2-ylpiperidin-4-yl)methanamine;(3R)-1-propan-2-ylpyrrolidin-3-amine;(3S)-1-propan-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 159030026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).