3-cyclohexylidenebutan-2-amine

C10H19N — CID 130574469

IUPAC3-cyclohexylidenebutan-2-amine
SMILESCC(=C1CCCCC1)C(C)N
InChIInChI=1S/C10H19N/c1-8(9(2)11)10-6-4-3-5-7-10/h9H,3-7,11H2,1-2H3
InChIKeyHTWRPRLLHLJSRF-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.61
Rot. Bonds1

About 3-cyclohexylidenebutan-2-amine

3-cyclohexylidenebutan-2-amine (PubChem CID 130574469) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 3-cyclohexylidenebutan-2-amine.

Molecular Properties

Compound Name3-cyclohexylidenebutan-2-amine
PubChem CID130574469
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name3-cyclohexylidenebutan-2-amine
SMILESCC(=C1CCCCC1)C(C)N
InChIInChI=1S/C10H19N/c1-8(9(2)11)10-6-4-3-5-7-10/h9H,3-7,11H2,1-2H3
InChIKeyHTWRPRLLHLJSRF-UHFFFAOYSA-N
XLogP2.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 3-cyclohexylidenebutan-2-amine?
The IUPAC name of 3-cyclohexylidenebutan-2-amine (CID 130574469) is 3-cyclohexylidenebutan-2-amine.
What is the SMILES notation for 3-cyclohexylidenebutan-2-amine?
The canonical SMILES for 3-cyclohexylidenebutan-2-amine is CC(=C1CCCCC1)C(C)N.
What is the InChIKey of 3-cyclohexylidenebutan-2-amine?
The InChIKey is HTWRPRLLHLJSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-8(9(2)11)10-6-4-3-5-7-10/h9H,3-7,11H2,1-2H3.
What are the key properties of 3-cyclohexylidenebutan-2-amine?
3-cyclohexylidenebutan-2-amine has a molecular weight of 153.27 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexylidenebutan-2-amine is sourced from PubChem (CID 130574469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).