2-methylpropylcyclohexane;2-methylpropylcyclopentane;4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;4-propan-2-ylpiperidine

C74H146N6O — CID 157189352

IUPAC2-methylpropylcyclohexane;2-methylpropylcyclopentane;4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;4-propan-2-ylpiperidine
SMILESCC(C)C1CCNCC1.CC(C)CC1CCCC1.CC(C)CC1CCCCC1.CC(C)CN1CCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCOc2ccccc21
InChIInChI=1S/C12H17NO.C10H20.3C9H19N.C9H18.2C8H17N/c1-10(2)9-13-7-8-14-12-6-4-3-5-11(12)13;4*1-9(2)8-10-6-4-3-5-7-10;1-8(2)7-9-5-3-4-6-9;1-7(2)8-3-5-9-6-4-8;1-8(2)7-9-5-3-4-6-9/h3-6,10H,7-9H2,1-2H3;9-10H,3-8H2,1-2H3;3*9H,3-8H2,1-2H3;8-9H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3;8H,3-7H2,1-2H3
InChIKeyAPMXHQHNEPSFSR-UHFFFAOYSA-N
MW1136.02 g/mol
LogP19.14
Rot. Bonds15

About 2-methylpropylcyclohexane;2-methylpropylcyclopentane;4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;4-propan-2-ylpiperidine

2-methylpropylcyclohexane;2-methylpropylcyclopentane;4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;4-propan-2-ylpiperidine (PubChem CID 157189352) has the molecular formula C74H146N6O and a molecular weight of 1136.02 g/mol. Its IUPAC name is 2-methylpropylcyclohexane;2-methylpropylcyclopentane;4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;4-propan-2-ylpiperidine.

Molecular Properties

Compound Name2-methylpropylcyclohexane;2-methylpropylcyclopentane;4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;4-propan-2-ylpiperidine
PubChem CID157189352
Molecular FormulaC74H146N6O
Molecular Weight1136.02 g/mol
Exact Mass1135.16
IUPAC Name2-methylpropylcyclohexane;2-methylpropylcyclopentane;4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;4-propan-2-ylpiperidine
SMILESCC(C)C1CCNCC1.CC(C)CC1CCCC1.CC(C)CC1CCCCC1.CC(C)CN1CCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCOc2ccccc21
InChIInChI=1S/C12H17NO.C10H20.3C9H19N.C9H18.2C8H17N/c1-10(2)9-13-7-8-14-12-6-4-3-5-11(12)13;4*1-9(2)8-10-6-4-3-5-7-10;1-8(2)7-9-5-3-4-6-9;1-7(2)8-3-5-9-6-4-8;1-8(2)7-9-5-3-4-6-9/h3-6,10H,7-9H2,1-2H3;9-10H,3-8H2,1-2H3;3*9H,3-8H2,1-2H3;8-9H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3;8H,3-7H2,1-2H3
InChIKeyAPMXHQHNEPSFSR-UHFFFAOYSA-N
XLogP19.14
TPSA37.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001136.02
LogP ≤ 519.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-methylpropylcyclohexane;2-methylpropylcyclopentane;4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;4-propan-2-ylpiperidine with MolForge

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Related Compounds

10-[4-[[(2S,3R)-3-(4-octylphenyl)pyrrolidin-2-yl]methoxy]butyl]phenoxazine
CID 155521705
10-[3-[[(2S,3R)-3-(4-octylphenyl)pyrrolidin-2-yl]methoxy]propyl]phenoxazine
CID 155527739
10-[5-[[(2S,3R)-3-(4-octylphenyl)pyrrolidin-2-yl]methoxy]pentyl]phenoxazine
CID 155569036
1-azabicyclo[2.2.2]octan-3-yl(3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine
CID 18956120
3,4-dihydro-2H-1,4-benzoxazin-3-yl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 18956122
4-[4-(3-Azabicyclo[3.1.0]hexan-1-yl)phenyl]-2,3-dihydro-1,4-benzoxazine
CID 49854416
N-(3,4-dihydro-2H-1,4-benzoxazin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 53719049
3,4-dihydro-2H-1,4-benzoxazin-3-yl-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanamine
CID 54542324
3,4-dihydro-2H-1,4-benzoxazine;1,2,3,4-tetrahydroisoquinoline
CID 68478737
3,4-dihydro-2H-1,4-benzoxazin-3-yl-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine
CID 70085392
4-[4-(3-Azabicyclo[3.1.0]hexan-1-yl)cyclohexa-2,4-dien-1-yl]-2,3-dihydro-1,4-benzoxazine
CID 70814149
2-[[(3R,4R,5S)-4-[4-(3-methoxypropoxy)phenyl]-5-(2-pyrrolidin-1-ylethoxy)piperidin-3-yl]oxymethyl]-4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazine
CID 90956529

Frequently Asked Questions

What is the IUPAC name of 2-methylpropylcyclohexane;2-methylpropylcyclopentane;4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;4-propan-2-ylpiperidine?
The IUPAC name of 2-methylpropylcyclohexane;2-methylpropylcyclopentane;4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;4-propan-2-ylpiperidine (CID 157189352) is 2-methylpropylcyclohexane;2-methylpropylcyclopentane;4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;4-propan-2-ylpiperidine.
What is the SMILES notation for 2-methylpropylcyclohexane;2-methylpropylcyclopentane;4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;4-propan-2-ylpiperidine?
The canonical SMILES for 2-methylpropylcyclohexane;2-methylpropylcyclopentane;4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;4-propan-2-ylpiperidine is CC(C)C1CCNCC1.CC(C)CC1CCCC1.CC(C)CC1CCCCC1.CC(C)CN1CCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCOc2ccccc21.
What is the InChIKey of 2-methylpropylcyclohexane;2-methylpropylcyclopentane;4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;4-propan-2-ylpiperidine?
The InChIKey is APMXHQHNEPSFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO.C10H20.3C9H19N.C9H18.2C8H17N/c1-10(2)9-13-7-8-14-12-6-4-3-5-11(12)13;4*1-9(2)8-10-6-4-3-5-7-10;1-8(2)7-9-5-3-4-6-9;1-7(2)8-3-5-9-6-4-8;1-8(2)7-9-5-3-4-6-9/h3-6,10H,7-9H2,1-2H3;9-10H,3-8H2,1-2H3;3*9H,3-8H2,1-2H3;8-9H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3;8H,3-7H2,1-2H3.
What are the key properties of 2-methylpropylcyclohexane;2-methylpropylcyclopentane;4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;4-propan-2-ylpiperidine?
2-methylpropylcyclohexane;2-methylpropylcyclopentane;4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;4-propan-2-ylpiperidine has a molecular weight of 1136.02 g/mol, XLogP of 19.14, 15 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropylcyclohexane;2-methylpropylcyclopentane;4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;4-propan-2-ylpiperidine is sourced from PubChem (CID 157189352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).