3-methylidene-1-(1-piperidin-1-ylcyclopentyl)pentan-1-amine

C16H30N2 — CID 79057487

IUPAC3-methylidene-1-(1-piperidin-1-ylcyclopentyl)pentan-1-amine
SMILESC=C(CC)CC(N)C1(N2CCCCC2)CCCC1
InChIInChI=1S/C16H30N2/c1-3-14(2)13-15(17)16(9-5-6-10-16)18-11-7-4-8-12-18/h15H,2-13,17H2,1H3
InChIKeyNFNOEHMDMDUXIC-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.47
Rot. Bonds5

About 3-methylidene-1-(1-piperidin-1-ylcyclopentyl)pentan-1-amine

3-methylidene-1-(1-piperidin-1-ylcyclopentyl)pentan-1-amine (PubChem CID 79057487) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 3-methylidene-1-(1-piperidin-1-ylcyclopentyl)pentan-1-amine.

Molecular Properties

Compound Name3-methylidene-1-(1-piperidin-1-ylcyclopentyl)pentan-1-amine
PubChem CID79057487
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name3-methylidene-1-(1-piperidin-1-ylcyclopentyl)pentan-1-amine
SMILESC=C(CC)CC(N)C1(N2CCCCC2)CCCC1
InChIInChI=1S/C16H30N2/c1-3-14(2)13-15(17)16(9-5-6-10-16)18-11-7-4-8-12-18/h15H,2-13,17H2,1H3
InChIKeyNFNOEHMDMDUXIC-UHFFFAOYSA-N
XLogP3.47
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.47
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)pentan-1-amine?
The IUPAC name of 3-methylidene-1-(1-piperidin-1-ylcyclopentyl)pentan-1-amine (CID 79057487) is 3-methylidene-1-(1-piperidin-1-ylcyclopentyl)pentan-1-amine.
What is the SMILES notation for 3-methylidene-1-(1-piperidin-1-ylcyclopentyl)pentan-1-amine?
The canonical SMILES for 3-methylidene-1-(1-piperidin-1-ylcyclopentyl)pentan-1-amine is C=C(CC)CC(N)C1(N2CCCCC2)CCCC1.
What is the InChIKey of 3-methylidene-1-(1-piperidin-1-ylcyclopentyl)pentan-1-amine?
The InChIKey is NFNOEHMDMDUXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-3-14(2)13-15(17)16(9-5-6-10-16)18-11-7-4-8-12-18/h15H,2-13,17H2,1H3.
What are the key properties of 3-methylidene-1-(1-piperidin-1-ylcyclopentyl)pentan-1-amine?
3-methylidene-1-(1-piperidin-1-ylcyclopentyl)pentan-1-amine has a molecular weight of 250.43 g/mol, XLogP of 3.47, 5 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)pentan-1-amine is sourced from PubChem (CID 79057487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).