1-[2-(butylamino)ethyl]cyclopentan-1-amine

C11H24N2 — CID 64679501

IUPAC1-[2-(butylamino)ethyl]cyclopentan-1-amine
SMILESCCCCNCCC1(N)CCCC1
InChIInChI=1S/C11H24N2/c1-2-3-9-13-10-8-11(12)6-4-5-7-11/h13H,2-10,12H2,1H3
InChIKeyQAPVABFYARCLQA-UHFFFAOYSA-N
MW184.33 g/mol
LogP2.04
Rot. Bonds6

About 1-[2-(butylamino)ethyl]cyclopentan-1-amine

1-[2-(butylamino)ethyl]cyclopentan-1-amine (PubChem CID 64679501) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is 1-[2-(butylamino)ethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[2-(butylamino)ethyl]cyclopentan-1-amine
PubChem CID64679501
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name1-[2-(butylamino)ethyl]cyclopentan-1-amine
SMILESCCCCNCCC1(N)CCCC1
InChIInChI=1S/C11H24N2/c1-2-3-9-13-10-8-11(12)6-4-5-7-11/h13H,2-10,12H2,1H3
InChIKeyQAPVABFYARCLQA-UHFFFAOYSA-N
XLogP2.04
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(butylamino)ethyl]cyclopentan-1-amine?
The IUPAC name of 1-[2-(butylamino)ethyl]cyclopentan-1-amine (CID 64679501) is 1-[2-(butylamino)ethyl]cyclopentan-1-amine.
What is the SMILES notation for 1-[2-(butylamino)ethyl]cyclopentan-1-amine?
The canonical SMILES for 1-[2-(butylamino)ethyl]cyclopentan-1-amine is CCCCNCCC1(N)CCCC1.
What is the InChIKey of 1-[2-(butylamino)ethyl]cyclopentan-1-amine?
The InChIKey is QAPVABFYARCLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-2-3-9-13-10-8-11(12)6-4-5-7-11/h13H,2-10,12H2,1H3.
What are the key properties of 1-[2-(butylamino)ethyl]cyclopentan-1-amine?
1-[2-(butylamino)ethyl]cyclopentan-1-amine has a molecular weight of 184.33 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(butylamino)ethyl]cyclopentan-1-amine is sourced from PubChem (CID 64679501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).