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

C18H34N2 — CID 79059000

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

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

N-ethyl-3-methylidene-1-(1-piperidin-1-ylcyclopentyl)pentan-1-amine (PubChem CID 79059000) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is N-ethyl-3-methylidene-1-(1-piperidin-1-ylcyclopentyl)pentan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methylidene-1-(1-piperidin-1-ylcyclopentyl)pentan-1-amine
PubChem CID79059000
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC NameN-ethyl-3-methylidene-1-(1-piperidin-1-ylcyclopentyl)pentan-1-amine
SMILESC=C(CC)CC(NCC)C1(N2CCCCC2)CCCC1
InChIInChI=1S/C18H34N2/c1-4-16(3)15-17(19-5-2)18(11-7-8-12-18)20-13-9-6-10-14-20/h17,19H,3-15H2,1-2H3
InChIKeyPHCRADOUPJGNGW-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 N-ethyl-3-methylidene-1-(1-piperidin-1-ylcyclopentyl)pentan-1-amine?
The IUPAC name of N-ethyl-3-methylidene-1-(1-piperidin-1-ylcyclopentyl)pentan-1-amine (CID 79059000) is N-ethyl-3-methylidene-1-(1-piperidin-1-ylcyclopentyl)pentan-1-amine.
What is the SMILES notation for N-ethyl-3-methylidene-1-(1-piperidin-1-ylcyclopentyl)pentan-1-amine?
The canonical SMILES for N-ethyl-3-methylidene-1-(1-piperidin-1-ylcyclopentyl)pentan-1-amine is C=C(CC)CC(NCC)C1(N2CCCCC2)CCCC1.
What is the InChIKey of N-ethyl-3-methylidene-1-(1-piperidin-1-ylcyclopentyl)pentan-1-amine?
The InChIKey is PHCRADOUPJGNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2/c1-4-16(3)15-17(19-5-2)18(11-7-8-12-18)20-13-9-6-10-14-20/h17,19H,3-15H2,1-2H3.
What are the key properties of N-ethyl-3-methylidene-1-(1-piperidin-1-ylcyclopentyl)pentan-1-amine?
N-ethyl-3-methylidene-1-(1-piperidin-1-ylcyclopentyl)pentan-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 N-ethyl-3-methylidene-1-(1-piperidin-1-ylcyclopentyl)pentan-1-amine is sourced from PubChem (CID 79059000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).