9-[1-(aminomethyl)cyclopentyl]-1-cyclopentylnona-3,7-dien-1-amine

C20H36N2 — CID 70477717

IUPAC9-[1-(aminomethyl)cyclopentyl]-1-cyclopentylnona-3,7-dien-1-amine
SMILESNCC1(CC=CCCC=CCC(N)C2CCCC2)CCCC1
InChIInChI=1S/C20H36N2/c21-17-20(15-9-10-16-20)14-8-4-2-1-3-5-13-19(22)18-11-6-7-12-18/h3-5,8,18-19H,1-2,6-7,9-17,21-22H2
InChIKeyQTRPCYARCXLYLI-UHFFFAOYSA-N
MW304.52 g/mol
LogP4.70
Rot. Bonds9

About 9-[1-(aminomethyl)cyclopentyl]-1-cyclopentylnona-3,7-dien-1-amine

9-[1-(aminomethyl)cyclopentyl]-1-cyclopentylnona-3,7-dien-1-amine (PubChem CID 70477717) has the molecular formula C20H36N2 and a molecular weight of 304.52 g/mol. Its IUPAC name is 9-[1-(aminomethyl)cyclopentyl]-1-cyclopentylnona-3,7-dien-1-amine.

Molecular Properties

Compound Name9-[1-(aminomethyl)cyclopentyl]-1-cyclopentylnona-3,7-dien-1-amine
PubChem CID70477717
Molecular FormulaC20H36N2
Molecular Weight304.52 g/mol
Exact Mass304.29
IUPAC Name9-[1-(aminomethyl)cyclopentyl]-1-cyclopentylnona-3,7-dien-1-amine
SMILESNCC1(CC=CCCC=CCC(N)C2CCCC2)CCCC1
InChIInChI=1S/C20H36N2/c21-17-20(15-9-10-16-20)14-8-4-2-1-3-5-13-19(22)18-11-6-7-12-18/h3-5,8,18-19H,1-2,6-7,9-17,21-22H2
InChIKeyQTRPCYARCXLYLI-UHFFFAOYSA-N
XLogP4.70
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.52
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-[1-(aminomethyl)cyclopentyl]-1-cyclopentylnona-3,7-dien-1-amine?
The IUPAC name of 9-[1-(aminomethyl)cyclopentyl]-1-cyclopentylnona-3,7-dien-1-amine (CID 70477717) is 9-[1-(aminomethyl)cyclopentyl]-1-cyclopentylnona-3,7-dien-1-amine.
What is the SMILES notation for 9-[1-(aminomethyl)cyclopentyl]-1-cyclopentylnona-3,7-dien-1-amine?
The canonical SMILES for 9-[1-(aminomethyl)cyclopentyl]-1-cyclopentylnona-3,7-dien-1-amine is NCC1(CC=CCCC=CCC(N)C2CCCC2)CCCC1.
What is the InChIKey of 9-[1-(aminomethyl)cyclopentyl]-1-cyclopentylnona-3,7-dien-1-amine?
The InChIKey is QTRPCYARCXLYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2/c21-17-20(15-9-10-16-20)14-8-4-2-1-3-5-13-19(22)18-11-6-7-12-18/h3-5,8,18-19H,1-2,6-7,9-17,21-22H2.
What are the key properties of 9-[1-(aminomethyl)cyclopentyl]-1-cyclopentylnona-3,7-dien-1-amine?
9-[1-(aminomethyl)cyclopentyl]-1-cyclopentylnona-3,7-dien-1-amine has a molecular weight of 304.52 g/mol, XLogP of 4.70, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[1-(aminomethyl)cyclopentyl]-1-cyclopentylnona-3,7-dien-1-amine is sourced from PubChem (CID 70477717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).