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

C16H24N2 — CID 113335651

IUPAC2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-phenylpropan-1-amine
SMILESCC(C(N)c1ccccc1)N1CC2CCCC2C1
InChIInChI=1S/C16H24N2/c1-12(16(17)13-6-3-2-4-7-13)18-10-14-8-5-9-15(14)11-18/h2-4,6-7,12,14-16H,5,8-11,17H2,1H3
InChIKeyNYJBRWBEDMYHMT-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.81
Rot. Bonds3

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

2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-phenylpropan-1-amine (PubChem CID 113335651) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-phenylpropan-1-amine.

Molecular Properties

Compound Name2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-phenylpropan-1-amine
PubChem CID113335651
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-phenylpropan-1-amine
SMILESCC(C(N)c1ccccc1)N1CC2CCCC2C1
InChIInChI=1S/C16H24N2/c1-12(16(17)13-6-3-2-4-7-13)18-10-14-8-5-9-15(14)11-18/h2-4,6-7,12,14-16H,5,8-11,17H2,1H3
InChIKeyNYJBRWBEDMYHMT-UHFFFAOYSA-N
XLogP2.81
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-phenylpropan-2-amine
CID 115559024
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-phenylpropan-1-ol
CID 15072780
2-(4-methylpiperidin-1-yl)-1-phenylpropan-1-amine
CID 16781161
1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
CID 103495028
2-(4-methylpiperazin-1-yl)-1-phenylpropan-1-amine
CID 16786190
2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-phenylpropan-1-amine
CID 64569900
2-(2-ethylmorpholin-4-yl)-1-phenylpropan-1-amine
CID 43562634
N-[(1S)-1-phenylethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 81350353
N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-phenylethyl]-2-methylpropan-2-amine
CID 115562272
2-(3,4-dimethylpyrrolidin-1-yl)-3-methyl-1-phenylbutan-1-amine
CID 79189168
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(4-methylphenyl)propan-1-ol
CID 115561355
N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-phenylethyl]cyclopropanamine
CID 115562211

Frequently Asked Questions

What is the IUPAC name of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-phenylpropan-1-amine?
The IUPAC name of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-phenylpropan-1-amine (CID 113335651) is 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-phenylpropan-1-amine.
What is the SMILES notation for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-phenylpropan-1-amine?
The canonical SMILES for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-phenylpropan-1-amine is CC(C(N)c1ccccc1)N1CC2CCCC2C1.
What is the InChIKey of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-phenylpropan-1-amine?
The InChIKey is NYJBRWBEDMYHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-12(16(17)13-6-3-2-4-7-13)18-10-14-8-5-9-15(14)11-18/h2-4,6-7,12,14-16H,5,8-11,17H2,1H3.
What are the key properties of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-phenylpropan-1-amine?
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-phenylpropan-1-amine has a molecular weight of 244.38 g/mol, XLogP of 2.81, 3 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)-1-phenylpropan-1-amine is sourced from PubChem (CID 113335651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).