4-pentylidenecyclohexan-1-amine

C11H21N — CID 79880726

IUPAC4-pentylidenecyclohexan-1-amine
SMILESCCCCC=C1CCC(N)CC1
InChIInChI=1S/C11H21N/c1-2-3-4-5-10-6-8-11(12)9-7-10/h5,11H,2-4,6-9,12H2,1H3/b10-5-
InChIKeyXFJICUUQOUNGHE-YHYXMXQVSA-N
MW167.30 g/mol
LogP3.00
Rot. Bonds3

About 4-pentylidenecyclohexan-1-amine

4-pentylidenecyclohexan-1-amine (PubChem CID 79880726) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 4-pentylidenecyclohexan-1-amine.

Molecular Properties

Compound Name4-pentylidenecyclohexan-1-amine
PubChem CID79880726
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name4-pentylidenecyclohexan-1-amine
SMILESCCCCC=C1CCC(N)CC1
InChIInChI=1S/C11H21N/c1-2-3-4-5-10-6-8-11(12)9-7-10/h5,11H,2-4,6-9,12H2,1H3/b10-5-
InChIKeyXFJICUUQOUNGHE-YHYXMXQVSA-N
XLogP3.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 4-pentylidenecyclohexan-1-amine?
The IUPAC name of 4-pentylidenecyclohexan-1-amine (CID 79880726) is 4-pentylidenecyclohexan-1-amine.
What is the SMILES notation for 4-pentylidenecyclohexan-1-amine?
The canonical SMILES for 4-pentylidenecyclohexan-1-amine is CCCCC=C1CCC(N)CC1.
What is the InChIKey of 4-pentylidenecyclohexan-1-amine?
The InChIKey is XFJICUUQOUNGHE-YHYXMXQVSA-N. The full InChI is InChI=1S/C11H21N/c1-2-3-4-5-10-6-8-11(12)9-7-10/h5,11H,2-4,6-9,12H2,1H3/b10-5-.
What are the key properties of 4-pentylidenecyclohexan-1-amine?
4-pentylidenecyclohexan-1-amine has a molecular weight of 167.30 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentylidenecyclohexan-1-amine is sourced from PubChem (CID 79880726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).