3-methyl-1-(1-piperidin-1-ylcyclopentyl)-N-propylbut-3-en-1-amine

C18H34N2 — CID 79186303

IUPAC3-methyl-1-(1-piperidin-1-ylcyclopentyl)-N-propylbut-3-en-1-amine
SMILESC=C(C)CC(NCCC)C1(N2CCCCC2)CCCC1
InChIInChI=1S/C18H34N2/c1-4-12-19-17(15-16(2)3)18(10-6-7-11-18)20-13-8-5-9-14-20/h17,19H,2,4-15H2,1,3H3
InChIKeyWJRCKPAXKAJXBJ-UHFFFAOYSA-N
MW278.48 g/mol
LogP4.12
Rot. Bonds7

About 3-methyl-1-(1-piperidin-1-ylcyclopentyl)-N-propylbut-3-en-1-amine

3-methyl-1-(1-piperidin-1-ylcyclopentyl)-N-propylbut-3-en-1-amine (PubChem CID 79186303) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is 3-methyl-1-(1-piperidin-1-ylcyclopentyl)-N-propylbut-3-en-1-amine.

Molecular Properties

Compound Name3-methyl-1-(1-piperidin-1-ylcyclopentyl)-N-propylbut-3-en-1-amine
PubChem CID79186303
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC Name3-methyl-1-(1-piperidin-1-ylcyclopentyl)-N-propylbut-3-en-1-amine
SMILESC=C(C)CC(NCCC)C1(N2CCCCC2)CCCC1
InChIInChI=1S/C18H34N2/c1-4-12-19-17(15-16(2)3)18(10-6-7-11-18)20-13-8-5-9-14-20/h17,19H,2,4-15H2,1,3H3
InChIKeyWJRCKPAXKAJXBJ-UHFFFAOYSA-N
XLogP4.12
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 54.12
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-methyl-1-(1-piperidin-1-ylcyclopentyl)-N-propylbut-3-en-1-amine?
The IUPAC name of 3-methyl-1-(1-piperidin-1-ylcyclopentyl)-N-propylbut-3-en-1-amine (CID 79186303) is 3-methyl-1-(1-piperidin-1-ylcyclopentyl)-N-propylbut-3-en-1-amine.
What is the SMILES notation for 3-methyl-1-(1-piperidin-1-ylcyclopentyl)-N-propylbut-3-en-1-amine?
The canonical SMILES for 3-methyl-1-(1-piperidin-1-ylcyclopentyl)-N-propylbut-3-en-1-amine is C=C(C)CC(NCCC)C1(N2CCCCC2)CCCC1.
What is the InChIKey of 3-methyl-1-(1-piperidin-1-ylcyclopentyl)-N-propylbut-3-en-1-amine?
The InChIKey is WJRCKPAXKAJXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2/c1-4-12-19-17(15-16(2)3)18(10-6-7-11-18)20-13-8-5-9-14-20/h17,19H,2,4-15H2,1,3H3.
What are the key properties of 3-methyl-1-(1-piperidin-1-ylcyclopentyl)-N-propylbut-3-en-1-amine?
3-methyl-1-(1-piperidin-1-ylcyclopentyl)-N-propylbut-3-en-1-amine has a molecular weight of 278.48 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-piperidin-1-ylcyclopentyl)-N-propylbut-3-en-1-amine is sourced from PubChem (CID 79186303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).