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

C19H36N2 — CID 115561967

IUPAC6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-2,2-dimethyl-N-propylcyclohexan-1-amine
SMILESCCCNC1C(CN2CC3CCCC3C2)CCCC1(C)C
InChIInChI=1S/C19H36N2/c1-4-11-20-18-17(9-6-10-19(18,2)3)14-21-12-15-7-5-8-16(15)13-21/h15-18,20H,4-14H2,1-3H3
InChIKeyVWFSRWGQHKTPIJ-UHFFFAOYSA-N
MW292.51 g/mol
LogP3.91
Rot. Bonds5

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

6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-2,2-dimethyl-N-propylcyclohexan-1-amine (PubChem CID 115561967) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is 6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-2,2-dimethyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-2,2-dimethyl-N-propylcyclohexan-1-amine
PubChem CID115561967
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC Name6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-2,2-dimethyl-N-propylcyclohexan-1-amine
SMILESCCCNC1C(CN2CC3CCCC3C2)CCCC1(C)C
InChIInChI=1S/C19H36N2/c1-4-11-20-18-17(9-6-10-19(18,2)3)14-21-12-15-7-5-8-16(15)13-21/h15-18,20H,4-14H2,1-3H3
InChIKeyVWFSRWGQHKTPIJ-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-2,2-dimethyl-N-propylcyclohexan-1-amine?
The IUPAC name of 6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-2,2-dimethyl-N-propylcyclohexan-1-amine (CID 115561967) is 6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-2,2-dimethyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-2,2-dimethyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-2,2-dimethyl-N-propylcyclohexan-1-amine is CCCNC1C(CN2CC3CCCC3C2)CCCC1(C)C.
What is the InChIKey of 6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-2,2-dimethyl-N-propylcyclohexan-1-amine?
The InChIKey is VWFSRWGQHKTPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2/c1-4-11-20-18-17(9-6-10-19(18,2)3)14-21-12-15-7-5-8-16(15)13-21/h15-18,20H,4-14H2,1-3H3.
What are the key properties of 6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-2,2-dimethyl-N-propylcyclohexan-1-amine?
6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-2,2-dimethyl-N-propylcyclohexan-1-amine has a molecular weight of 292.51 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-2,2-dimethyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 115561967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).