5-cyclohexyl-N-methylpentan-1-amine

C12H25N — CID 18790250

IUPAC5-cyclohexyl-N-methylpentan-1-amine
SMILESCNCCCCCC1CCCCC1
InChIInChI=1S/C12H25N/c1-13-11-7-3-6-10-12-8-4-2-5-9-12/h12-13H,2-11H2,1H3
InChIKeyRDJMGJUJVXZGHY-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.35
Rot. Bonds6

About 5-cyclohexyl-N-methylpentan-1-amine

5-cyclohexyl-N-methylpentan-1-amine (PubChem CID 18790250) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 5-cyclohexyl-N-methylpentan-1-amine.

Molecular Properties

Compound Name5-cyclohexyl-N-methylpentan-1-amine
PubChem CID18790250
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name5-cyclohexyl-N-methylpentan-1-amine
SMILESCNCCCCCC1CCCCC1
InChIInChI=1S/C12H25N/c1-13-11-7-3-6-10-12-8-4-2-5-9-12/h12-13H,2-11H2,1H3
InChIKeyRDJMGJUJVXZGHY-UHFFFAOYSA-N
XLogP3.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.35
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 5-cyclohexyl-N-methylpentan-1-amine?
The IUPAC name of 5-cyclohexyl-N-methylpentan-1-amine (CID 18790250) is 5-cyclohexyl-N-methylpentan-1-amine.
What is the SMILES notation for 5-cyclohexyl-N-methylpentan-1-amine?
The canonical SMILES for 5-cyclohexyl-N-methylpentan-1-amine is CNCCCCCC1CCCCC1.
What is the InChIKey of 5-cyclohexyl-N-methylpentan-1-amine?
The InChIKey is RDJMGJUJVXZGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-13-11-7-3-6-10-12-8-4-2-5-9-12/h12-13H,2-11H2,1H3.
What are the key properties of 5-cyclohexyl-N-methylpentan-1-amine?
5-cyclohexyl-N-methylpentan-1-amine has a molecular weight of 183.34 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-N-methylpentan-1-amine is sourced from PubChem (CID 18790250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).