2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-3,5-dimethyl-N-propylcyclohexan-1-amine

C19H36N2 — CID 115561997

IUPAC2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-3,5-dimethyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CC(C)CC(C)C1CN1CC2CCCC2C1
InChIInChI=1S/C19H36N2/c1-4-8-20-19-10-14(2)9-15(3)18(19)13-21-11-16-6-5-7-17(16)12-21/h14-20H,4-13H2,1-3H3
InChIKeyFTDMUSVYQVGKSR-UHFFFAOYSA-N
MW292.51 g/mol
LogP3.77
Rot. Bonds5

About 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-3,5-dimethyl-N-propylcyclohexan-1-amine

2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-3,5-dimethyl-N-propylcyclohexan-1-amine (PubChem CID 115561997) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-3,5-dimethyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-3,5-dimethyl-N-propylcyclohexan-1-amine
PubChem CID115561997
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC Name2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-3,5-dimethyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CC(C)CC(C)C1CN1CC2CCCC2C1
InChIInChI=1S/C19H36N2/c1-4-8-20-19-10-14(2)9-15(3)18(19)13-21-11-16-6-5-7-17(16)12-21/h14-20H,4-13H2,1-3H3
InChIKeyFTDMUSVYQVGKSR-UHFFFAOYSA-N
XLogP3.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.51
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-3,5-dimethyl-N-propylcyclohexan-1-amine?
The IUPAC name of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-3,5-dimethyl-N-propylcyclohexan-1-amine (CID 115561997) is 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-3,5-dimethyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-3,5-dimethyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-3,5-dimethyl-N-propylcyclohexan-1-amine is CCCNC1CC(C)CC(C)C1CN1CC2CCCC2C1.
What is the InChIKey of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-3,5-dimethyl-N-propylcyclohexan-1-amine?
The InChIKey is FTDMUSVYQVGKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2/c1-4-8-20-19-10-14(2)9-15(3)18(19)13-21-11-16-6-5-7-17(16)12-21/h14-20H,4-13H2,1-3H3.
What are the key properties of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-3,5-dimethyl-N-propylcyclohexan-1-amine?
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-3,5-dimethyl-N-propylcyclohexan-1-amine has a molecular weight of 292.51 g/mol, XLogP of 3.77, 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-ylmethyl)-3,5-dimethyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 115561997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).