8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;3,3-dimethyl-1-propan-2-ylpiperazine;3,5-dimethyl-1-propan-2-ylpiperazine;3-ethyl-1-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;7-propan-2-yl-4,7-diazaspiro[2.5]octane;1-propan-2-yl-1,4-diazepane;1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine

C92H196N20 — CID 158670066

IUPAC8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;3,3-dimethyl-1-propan-2-ylpiperazine;3,5-dimethyl-1-propan-2-ylpiperazine;3-ethyl-1-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;7-propan-2-yl-4,7-diazaspiro[2.5]octane;1-propan-2-yl-1,4-diazepane;1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine
SMILESCC(C)N1CCC(N2CCCC2)C1.CC(C)N1CCCNCC1.CC(C)N1CCN(C)CC1.CC(C)N1CCN2CCCC2(C)C1.CC(C)N1CCN2CCCC2C1.CC(C)N1CCNC(C)(C)C1.CC(C)N1CCNC2(CC2)C1.CC1CN(C(C)C)CC(C)N1.CC1CN(C(C)C)CCN1.CCC1CN(C(C)C)CCN1
InChIInChI=1S/2C11H22N2.C10H20N2.C9H18N2.3C9H20N2.3C8H18N2/c1-10(2)12-7-8-13-6-4-5-11(13,3)9-12;1-10(2)13-8-5-11(9-13)12-6-3-4-7-12;1-9(2)12-7-6-11-5-3-4-10(11)8-12;1-8(2)11-6-5-10-9(7-11)3-4-9;1-7(2)11-5-8(3)10-9(4)6-11;1-8(2)11-6-5-10-9(3,4)7-11;1-4-9-7-11(8(2)3)6-5-10-9;1-8(2)10-6-4-9(3)5-7-10;1-7(2)10-5-4-9-8(3)6-10;1-8(2)10-6-3-4-9-5-7-10/h10H,4-9H2,1-3H3;10-11H,3-9H2,1-2H3;9-10H,3-8H2,1-2H3;8,10H,3-7H2,1-2H3;7-10H,5-6H2,1-4H3;8,10H,5-7H2,1-4H3;8-10H,4-7H2,1-3H3;8H,4-7H2,1-3H3;7-9H,4-6H2,1-3H3;8-9H,3-7H2,1-2H3
InChIKeyIDVLURDVOWUZJW-UHFFFAOYSA-N
MW1582.72 g/mol
LogP10.39
Rot. Bonds12

About 8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;3,3-dimethyl-1-propan-2-ylpiperazine;3,5-dimethyl-1-propan-2-ylpiperazine;3-ethyl-1-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;7-propan-2-yl-4,7-diazaspiro[2.5]octane;1-propan-2-yl-1,4-diazepane;1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine

8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;3,3-dimethyl-1-propan-2-ylpiperazine;3,5-dimethyl-1-propan-2-ylpiperazine;3-ethyl-1-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;7-propan-2-yl-4,7-diazaspiro[2.5]octane;1-propan-2-yl-1,4-diazepane;1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine (PubChem CID 158670066) has the molecular formula C92H196N20 and a molecular weight of 1582.72 g/mol. Its IUPAC name is 8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;3,3-dimethyl-1-propan-2-ylpiperazine;3,5-dimethyl-1-propan-2-ylpiperazine;3-ethyl-1-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;7-propan-2-yl-4,7-diazaspiro[2.5]octane;1-propan-2-yl-1,4-diazepane;1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine.

Molecular Properties

Compound Name8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;3,3-dimethyl-1-propan-2-ylpiperazine;3,5-dimethyl-1-propan-2-ylpiperazine;3-ethyl-1-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;7-propan-2-yl-4,7-diazaspiro[2.5]octane;1-propan-2-yl-1,4-diazepane;1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine
PubChem CID158670066
Molecular FormulaC92H196N20
Molecular Weight1582.72 g/mol
Exact Mass1581.60
IUPAC Name8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;3,3-dimethyl-1-propan-2-ylpiperazine;3,5-dimethyl-1-propan-2-ylpiperazine;3-ethyl-1-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;7-propan-2-yl-4,7-diazaspiro[2.5]octane;1-propan-2-yl-1,4-diazepane;1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine
SMILESCC(C)N1CCC(N2CCCC2)C1.CC(C)N1CCCNCC1.CC(C)N1CCN(C)CC1.CC(C)N1CCN2CCCC2(C)C1.CC(C)N1CCN2CCCC2C1.CC(C)N1CCNC(C)(C)C1.CC(C)N1CCNC2(CC2)C1.CC1CN(C(C)C)CC(C)N1.CC1CN(C(C)C)CCN1.CCC1CN(C(C)C)CCN1
InChIInChI=1S/2C11H22N2.C10H20N2.C9H18N2.3C9H20N2.3C8H18N2/c1-10(2)12-7-8-13-6-4-5-11(13,3)9-12;1-10(2)13-8-5-11(9-13)12-6-3-4-7-12;1-9(2)12-7-6-11-5-3-4-10(11)8-12;1-8(2)11-6-5-10-9(7-11)3-4-9;1-7(2)11-5-8(3)10-9(4)6-11;1-8(2)11-6-5-10-9(3,4)7-11;1-4-9-7-11(8(2)3)6-5-10-9;1-8(2)10-6-4-9(3)5-7-10;1-7(2)10-5-4-9-8(3)6-10;1-8(2)10-6-3-4-9-5-7-10/h10H,4-9H2,1-3H3;10-11H,3-9H2,1-2H3;9-10H,3-8H2,1-2H3;8,10H,3-7H2,1-2H3;7-10H,5-6H2,1-4H3;8,10H,5-7H2,1-4H3;8-10H,4-7H2,1-3H3;8H,4-7H2,1-3H3;7-9H,4-6H2,1-3H3;8-9H,3-7H2,1-2H3
InChIKeyIDVLURDVOWUZJW-UHFFFAOYSA-N
XLogP10.39
TPSA117.54 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds12
Heavy Atoms112
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001582.72
LogP ≤ 510.39
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

Analyze 8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;3,3-dimethyl-1-propan-2-ylpiperazine;3,5-dimethyl-1-propan-2-ylpiperazine;3-ethyl-1-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;7-propan-2-yl-4,7-diazaspiro[2.5]octane;1-propan-2-yl-1,4-diazepane;1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine with MolForge

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Launch Full Analysis

Related Compounds

2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;3-tert-butyl-3,8-diazabicyclo[3.2.1]octane;7-tert-butyl-1,7-diazaspiro[4.4]nonane;ethane
CID 157444226
1-cyclopropyl-4-methylpiperazine;3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane;1,3-dimethylpiperazine;1,4-dimethylpiperazine;2,4-dimethyl-1-propan-2-ylpiperazine;1-ethyl-4-methylpiperazine;2-methyl-2,5-diazabicyclo[2.2.1]heptane;3-methyl-3,8-diazabicyclo[3.2.1]octane;1-methylpiperazine;4-methylpiperidine;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;3-methyl-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;1-methyl-4-propan-2-ylpiperazine;1,2,2,4-tetramethylpiperazine;1,2,4-trimethylpiperazine;1,3,3-trimethylpiperazine;1,3,5-trimethylpiperazine;N,N,1-trimethylpiperidin-4-amine;2,2,4-trimethyl-1-propan-2-ylpiperazine
CID 157945178
CID 158315073
CID 158315073
3,3-dimethyl-1-propan-2-ylpiperazine;3,5-dimethyl-1-propan-2-ylpiperazine;(3S,5S)-3,5-dimethyl-1-propan-2-ylpiperazine;bis((3R,5S)-3,5-dimethyl-1-propan-2-ylpiperazine);3-ethyl-1-propan-2-ylpiperazine;(3R)-3-ethyl-1-propan-2-ylpiperazine;(3S)-3-ethyl-1-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;(3R)-3-methyl-1-propan-2-ylpiperazine;(3S)-3-methyl-1-propan-2-ylpiperazine;7-propan-2-yl-4,7-diazaspiro[2.5]octane;1-propan-2-yl-1,4-diazepane;1-propan-2-ylpiperazine;1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine;(3S)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine
CID 160522983
CID 160584436
CID 160584436
CID 160773093
CID 160773093
2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;1-tert-butyl-1,4-diazepane;1-tert-butyl-4-methylpiperazine;1-tert-butyl-3-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;1-tert-butylpiperidin-4-amine;1-tert-butylpiperidine
CID 161459058
2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;N-tert-butyl-N',N'-dimethylethane-1,2-diamine;1-tert-butyl-2,4-dimethylpiperazine;4-tert-butyl-1,2-dimethylpiperazine;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-4-methylpiperazine;1-tert-butylpiperidine;N'-tert-butyl-N,N,N'-trimethylethane-1,2-diamine;1-(2,2-dimethylpropyl)-4-methylpiperazine
CID 161999663
8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;3,3-dimethyl-1-propan-2-ylpiperazine;3,5-dimethyl-1-propan-2-ylpiperazine;3-ethyl-1-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;1-(3-propan-2-ylcyclopentyl)pyrrolidine;7-propan-2-yl-4,7-diazaspiro[2.5]octane;1-propan-2-yl-1,4-diazepane
CID 167546215

Frequently Asked Questions

What is the IUPAC name of 8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;3,3-dimethyl-1-propan-2-ylpiperazine;3,5-dimethyl-1-propan-2-ylpiperazine;3-ethyl-1-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;7-propan-2-yl-4,7-diazaspiro[2.5]octane;1-propan-2-yl-1,4-diazepane;1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine?
The IUPAC name of 8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;3,3-dimethyl-1-propan-2-ylpiperazine;3,5-dimethyl-1-propan-2-ylpiperazine;3-ethyl-1-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;7-propan-2-yl-4,7-diazaspiro[2.5]octane;1-propan-2-yl-1,4-diazepane;1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine (CID 158670066) is 8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;3,3-dimethyl-1-propan-2-ylpiperazine;3,5-dimethyl-1-propan-2-ylpiperazine;3-ethyl-1-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;7-propan-2-yl-4,7-diazaspiro[2.5]octane;1-propan-2-yl-1,4-diazepane;1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine.
What is the SMILES notation for 8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;3,3-dimethyl-1-propan-2-ylpiperazine;3,5-dimethyl-1-propan-2-ylpiperazine;3-ethyl-1-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;7-propan-2-yl-4,7-diazaspiro[2.5]octane;1-propan-2-yl-1,4-diazepane;1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine?
The canonical SMILES for 8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;3,3-dimethyl-1-propan-2-ylpiperazine;3,5-dimethyl-1-propan-2-ylpiperazine;3-ethyl-1-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;7-propan-2-yl-4,7-diazaspiro[2.5]octane;1-propan-2-yl-1,4-diazepane;1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine is CC(C)N1CCC(N2CCCC2)C1.CC(C)N1CCCNCC1.CC(C)N1CCN(C)CC1.CC(C)N1CCN2CCCC2(C)C1.CC(C)N1CCN2CCCC2C1.CC(C)N1CCNC(C)(C)C1.CC(C)N1CCNC2(CC2)C1.CC1CN(C(C)C)CC(C)N1.CC1CN(C(C)C)CCN1.CCC1CN(C(C)C)CCN1.
What is the InChIKey of 8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;3,3-dimethyl-1-propan-2-ylpiperazine;3,5-dimethyl-1-propan-2-ylpiperazine;3-ethyl-1-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;7-propan-2-yl-4,7-diazaspiro[2.5]octane;1-propan-2-yl-1,4-diazepane;1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine?
The InChIKey is IDVLURDVOWUZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H22N2.C10H20N2.C9H18N2.3C9H20N2.3C8H18N2/c1-10(2)12-7-8-13-6-4-5-11(13,3)9-12;1-10(2)13-8-5-11(9-13)12-6-3-4-7-12;1-9(2)12-7-6-11-5-3-4-10(11)8-12;1-8(2)11-6-5-10-9(7-11)3-4-9;1-7(2)11-5-8(3)10-9(4)6-11;1-8(2)11-6-5-10-9(3,4)7-11;1-4-9-7-11(8(2)3)6-5-10-9;1-8(2)10-6-4-9(3)5-7-10;1-7(2)10-5-4-9-8(3)6-10;1-8(2)10-6-3-4-9-5-7-10/h10H,4-9H2,1-3H3;10-11H,3-9H2,1-2H3;9-10H,3-8H2,1-2H3;8,10H,3-7H2,1-2H3;7-10H,5-6H2,1-4H3;8,10H,5-7H2,1-4H3;8-10H,4-7H2,1-3H3;8H,4-7H2,1-3H3;7-9H,4-6H2,1-3H3;8-9H,3-7H2,1-2H3.
What are the key properties of 8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;3,3-dimethyl-1-propan-2-ylpiperazine;3,5-dimethyl-1-propan-2-ylpiperazine;3-ethyl-1-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;7-propan-2-yl-4,7-diazaspiro[2.5]octane;1-propan-2-yl-1,4-diazepane;1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine?
8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;3,3-dimethyl-1-propan-2-ylpiperazine;3,5-dimethyl-1-propan-2-ylpiperazine;3-ethyl-1-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;7-propan-2-yl-4,7-diazaspiro[2.5]octane;1-propan-2-yl-1,4-diazepane;1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine has a molecular weight of 1582.72 g/mol, XLogP of 10.39, 12 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine;3,3-dimethyl-1-propan-2-ylpiperazine;3,5-dimethyl-1-propan-2-ylpiperazine;3-ethyl-1-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;7-propan-2-yl-4,7-diazaspiro[2.5]octane;1-propan-2-yl-1,4-diazepane;1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine is sourced from PubChem (CID 158670066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).