2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-benzylbutan-1-amine

C18H28N2 — CID 115559301

IUPAC2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-benzylbutan-1-amine
SMILESCCC(CN)(Cc1ccccc1)N1CC2CCCC2C1
InChIInChI=1S/C18H28N2/c1-2-18(14-19,11-15-7-4-3-5-8-15)20-12-16-9-6-10-17(16)13-20/h3-5,7-8,16-17H,2,6,9-14,19H2,1H3
InChIKeyGUIPTNBGCYNSJC-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.07
Rot. Bonds5

About 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-benzylbutan-1-amine

2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-benzylbutan-1-amine (PubChem CID 115559301) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-benzylbutan-1-amine.

Molecular Properties

Compound Name2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-benzylbutan-1-amine
PubChem CID115559301
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-benzylbutan-1-amine
SMILESCCC(CN)(Cc1ccccc1)N1CC2CCCC2C1
InChIInChI=1S/C18H28N2/c1-2-18(14-19,11-15-7-4-3-5-8-15)20-12-16-9-6-10-17(16)13-20/h3-5,7-8,16-17H,2,6,9-14,19H2,1H3
InChIKeyGUIPTNBGCYNSJC-UHFFFAOYSA-N
XLogP3.07
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-benzylbutan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

2-benzyl-2-(3,4,5-trimethylpiperazin-1-yl)butan-1-amine
CID 114537612
2-benzyl-2-(4-methylpiperidin-1-yl)butan-1-amine
CID 79008084
2-benzyl-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butan-1-amine
CID 79008804
2-N-cyclopentyl-2-N-ethyl-2-methyl-3-phenylpropane-1,2-diamine
CID 55150298
benzyl (2S)-2-[(3aS,7aR)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-2-benzyl-4-oxobutanoate
CID 141477633
2-benzyl-2-N-methyl-2-N-(1-methylpiperidin-3-yl)butane-1,2-diamine
CID 79008803
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-phenylethanone
CID 110867856
2-benzyl-2-(3,3-dimethylmorpholin-4-yl)butan-1-amine
CID 79007619
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-methylpropan-1-amine
CID 115559453
(2S)-4-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-2-benzyl-4-oxo-2-phenylbutanoic acid
CID 174478867
benzyl (4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxylate
CID 54127697
2-N-benzyl-2-cyclobutylbutane-1,2-diamine
CID 130697657

Frequently Asked Questions

What is the IUPAC name of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-benzylbutan-1-amine?
The IUPAC name of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-benzylbutan-1-amine (CID 115559301) is 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-benzylbutan-1-amine.
What is the SMILES notation for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-benzylbutan-1-amine?
The canonical SMILES for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-benzylbutan-1-amine is CCC(CN)(Cc1ccccc1)N1CC2CCCC2C1.
What is the InChIKey of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-benzylbutan-1-amine?
The InChIKey is GUIPTNBGCYNSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-2-18(14-19,11-15-7-4-3-5-8-15)20-12-16-9-6-10-17(16)13-20/h3-5,7-8,16-17H,2,6,9-14,19H2,1H3.
What are the key properties of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-benzylbutan-1-amine?
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-benzylbutan-1-amine has a molecular weight of 272.44 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-benzylbutan-1-amine is sourced from PubChem (CID 115559301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).