N-(cyclohexylidenemethyl)butan-1-amine

C11H21N — CID 54178659

IUPACN-(cyclohexylidenemethyl)butan-1-amine
SMILESCCCCNC=C1CCCCC1
InChIInChI=1S/C11H21N/c1-2-3-9-12-10-11-7-5-4-6-8-11/h10,12H,2-9H2,1H3
InChIKeyPAFNWJNXHLDHQA-UHFFFAOYSA-N
MW167.30 g/mol
LogP3.22
Rot. Bonds4

About N-(cyclohexylidenemethyl)butan-1-amine

N-(cyclohexylidenemethyl)butan-1-amine (PubChem CID 54178659) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is N-(cyclohexylidenemethyl)butan-1-amine.

Molecular Properties

Compound NameN-(cyclohexylidenemethyl)butan-1-amine
PubChem CID54178659
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC NameN-(cyclohexylidenemethyl)butan-1-amine
SMILESCCCCNC=C1CCCCC1
InChIInChI=1S/C11H21N/c1-2-3-9-12-10-11-7-5-4-6-8-11/h10,12H,2-9H2,1H3
InChIKeyPAFNWJNXHLDHQA-UHFFFAOYSA-N
XLogP3.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 N-(cyclohexylidenemethyl)butan-1-amine?
The IUPAC name of N-(cyclohexylidenemethyl)butan-1-amine (CID 54178659) is N-(cyclohexylidenemethyl)butan-1-amine.
What is the SMILES notation for N-(cyclohexylidenemethyl)butan-1-amine?
The canonical SMILES for N-(cyclohexylidenemethyl)butan-1-amine is CCCCNC=C1CCCCC1.
What is the InChIKey of N-(cyclohexylidenemethyl)butan-1-amine?
The InChIKey is PAFNWJNXHLDHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-2-3-9-12-10-11-7-5-4-6-8-11/h10,12H,2-9H2,1H3.
What are the key properties of N-(cyclohexylidenemethyl)butan-1-amine?
N-(cyclohexylidenemethyl)butan-1-amine has a molecular weight of 167.30 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylidenemethyl)butan-1-amine is sourced from PubChem (CID 54178659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).