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

C16H24N2 — CID 115559024

IUPAC1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-phenylpropan-2-amine
SMILESCC(N)C(c1ccccc1)N1CC2CCCC2C1
InChIInChI=1S/C16H24N2/c1-12(17)16(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
InChIKeyPOXWCZNVPQMNOS-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.81
Rot. Bonds3

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

1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-phenylpropan-2-amine (PubChem CID 115559024) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-phenylpropan-2-amine.

Molecular Properties

Compound Name1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-phenylpropan-2-amine
PubChem CID115559024
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-phenylpropan-2-amine
SMILESCC(N)C(c1ccccc1)N1CC2CCCC2C1
InChIInChI=1S/C16H24N2/c1-12(17)16(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
InChIKeyPOXWCZNVPQMNOS-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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Frequently Asked Questions

What is the IUPAC name of 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-phenylpropan-2-amine?
The IUPAC name of 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-phenylpropan-2-amine (CID 115559024) is 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-phenylpropan-2-amine.
What is the SMILES notation for 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-phenylpropan-2-amine?
The canonical SMILES for 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-phenylpropan-2-amine is CC(N)C(c1ccccc1)N1CC2CCCC2C1.
What is the InChIKey of 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-phenylpropan-2-amine?
The InChIKey is POXWCZNVPQMNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-12(17)16(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 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-phenylpropan-2-amine?
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-phenylpropan-2-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 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-phenylpropan-2-amine is sourced from PubChem (CID 115559024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).