3-methylidene-1-(1-piperidin-1-ylcyclopentyl)-N-propylpentan-1-amine

C19H36N2 — CID 79056997

IUPAC3-methylidene-1-(1-piperidin-1-ylcyclopentyl)-N-propylpentan-1-amine
SMILESC=C(CC)CC(NCCC)C1(N2CCCCC2)CCCC1
InChIInChI=1S/C19H36N2/c1-4-13-20-18(16-17(3)5-2)19(11-7-8-12-19)21-14-9-6-10-15-21/h18,20H,3-16H2,1-2H3
InChIKeyIJIPCWKPNUHKDV-UHFFFAOYSA-N
MW292.51 g/mol
LogP4.51
Rot. Bonds8

About 3-methylidene-1-(1-piperidin-1-ylcyclopentyl)-N-propylpentan-1-amine

3-methylidene-1-(1-piperidin-1-ylcyclopentyl)-N-propylpentan-1-amine (PubChem CID 79056997) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is 3-methylidene-1-(1-piperidin-1-ylcyclopentyl)-N-propylpentan-1-amine.

Molecular Properties

Compound Name3-methylidene-1-(1-piperidin-1-ylcyclopentyl)-N-propylpentan-1-amine
PubChem CID79056997
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC Name3-methylidene-1-(1-piperidin-1-ylcyclopentyl)-N-propylpentan-1-amine
SMILESC=C(CC)CC(NCCC)C1(N2CCCCC2)CCCC1
InChIInChI=1S/C19H36N2/c1-4-13-20-18(16-17(3)5-2)19(11-7-8-12-19)21-14-9-6-10-15-21/h18,20H,3-16H2,1-2H3
InChIKeyIJIPCWKPNUHKDV-UHFFFAOYSA-N
XLogP4.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.51
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methylidene-1-(1-piperidin-1-ylcyclopentyl)-N-propylpentan-1-amine?
The IUPAC name of 3-methylidene-1-(1-piperidin-1-ylcyclopentyl)-N-propylpentan-1-amine (CID 79056997) is 3-methylidene-1-(1-piperidin-1-ylcyclopentyl)-N-propylpentan-1-amine.
What is the SMILES notation for 3-methylidene-1-(1-piperidin-1-ylcyclopentyl)-N-propylpentan-1-amine?
The canonical SMILES for 3-methylidene-1-(1-piperidin-1-ylcyclopentyl)-N-propylpentan-1-amine is C=C(CC)CC(NCCC)C1(N2CCCCC2)CCCC1.
What is the InChIKey of 3-methylidene-1-(1-piperidin-1-ylcyclopentyl)-N-propylpentan-1-amine?
The InChIKey is IJIPCWKPNUHKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2/c1-4-13-20-18(16-17(3)5-2)19(11-7-8-12-19)21-14-9-6-10-15-21/h18,20H,3-16H2,1-2H3.
What are the key properties of 3-methylidene-1-(1-piperidin-1-ylcyclopentyl)-N-propylpentan-1-amine?
3-methylidene-1-(1-piperidin-1-ylcyclopentyl)-N-propylpentan-1-amine has a molecular weight of 292.51 g/mol, XLogP of 4.51, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-1-(1-piperidin-1-ylcyclopentyl)-N-propylpentan-1-amine is sourced from PubChem (CID 79056997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).