1-(1-pyrrolidin-1-ylcyclopentyl)pent-4-en-1-amine

C14H26N2 — CID 79059468

IUPAC1-(1-pyrrolidin-1-ylcyclopentyl)pent-4-en-1-amine
SMILESC=CCCC(N)C1(N2CCCC2)CCCC1
InChIInChI=1S/C14H26N2/c1-2-3-8-13(15)14(9-4-5-10-14)16-11-6-7-12-16/h2,13H,1,3-12,15H2
InChIKeyMIRBPDYWLOSSGL-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.69
Rot. Bonds5

About 1-(1-pyrrolidin-1-ylcyclopentyl)pent-4-en-1-amine

1-(1-pyrrolidin-1-ylcyclopentyl)pent-4-en-1-amine (PubChem CID 79059468) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 1-(1-pyrrolidin-1-ylcyclopentyl)pent-4-en-1-amine.

Molecular Properties

Compound Name1-(1-pyrrolidin-1-ylcyclopentyl)pent-4-en-1-amine
PubChem CID79059468
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name1-(1-pyrrolidin-1-ylcyclopentyl)pent-4-en-1-amine
SMILESC=CCCC(N)C1(N2CCCC2)CCCC1
InChIInChI=1S/C14H26N2/c1-2-3-8-13(15)14(9-4-5-10-14)16-11-6-7-12-16/h2,13H,1,3-12,15H2
InChIKeyMIRBPDYWLOSSGL-UHFFFAOYSA-N
XLogP2.69
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.69
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 1-(1-pyrrolidin-1-ylcyclopentyl)pent-4-en-1-amine?
The IUPAC name of 1-(1-pyrrolidin-1-ylcyclopentyl)pent-4-en-1-amine (CID 79059468) is 1-(1-pyrrolidin-1-ylcyclopentyl)pent-4-en-1-amine.
What is the SMILES notation for 1-(1-pyrrolidin-1-ylcyclopentyl)pent-4-en-1-amine?
The canonical SMILES for 1-(1-pyrrolidin-1-ylcyclopentyl)pent-4-en-1-amine is C=CCCC(N)C1(N2CCCC2)CCCC1.
What is the InChIKey of 1-(1-pyrrolidin-1-ylcyclopentyl)pent-4-en-1-amine?
The InChIKey is MIRBPDYWLOSSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-2-3-8-13(15)14(9-4-5-10-14)16-11-6-7-12-16/h2,13H,1,3-12,15H2.
What are the key properties of 1-(1-pyrrolidin-1-ylcyclopentyl)pent-4-en-1-amine?
1-(1-pyrrolidin-1-ylcyclopentyl)pent-4-en-1-amine has a molecular weight of 222.38 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-pyrrolidin-1-ylcyclopentyl)pent-4-en-1-amine is sourced from PubChem (CID 79059468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).