4-methyl-N-(4-methylpentyl)pentan-1-amine

C12H27N — CID 575039

IUPAC4-methyl-N-(4-methylpentyl)pentan-1-amine
SMILESCC(C)CCCNCCCC(C)C
InChIInChI=1S/C12H27N/c1-11(2)7-5-9-13-10-6-8-12(3)4/h11-13H,5-10H2,1-4H3
InChIKeyWWDQROFMFKRUIF-UHFFFAOYSA-N
MW185.35 g/mol
LogP3.45
Rot. Bonds8

About 4-methyl-N-(4-methylpentyl)pentan-1-amine

4-methyl-N-(4-methylpentyl)pentan-1-amine (PubChem CID 575039) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is 4-methyl-N-(4-methylpentyl)pentan-1-amine.

Molecular Properties

Compound Name4-methyl-N-(4-methylpentyl)pentan-1-amine
PubChem CID575039
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC Name4-methyl-N-(4-methylpentyl)pentan-1-amine
SMILESCC(C)CCCNCCCC(C)C
InChIInChI=1S/C12H27N/c1-11(2)7-5-9-13-10-6-8-12(3)4/h11-13H,5-10H2,1-4H3
InChIKeyWWDQROFMFKRUIF-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 53.45
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 4-methyl-N-(4-methylpentyl)pentan-1-amine?
The IUPAC name of 4-methyl-N-(4-methylpentyl)pentan-1-amine (CID 575039) is 4-methyl-N-(4-methylpentyl)pentan-1-amine.
What is the SMILES notation for 4-methyl-N-(4-methylpentyl)pentan-1-amine?
The canonical SMILES for 4-methyl-N-(4-methylpentyl)pentan-1-amine is CC(C)CCCNCCCC(C)C.
What is the InChIKey of 4-methyl-N-(4-methylpentyl)pentan-1-amine?
The InChIKey is WWDQROFMFKRUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N/c1-11(2)7-5-9-13-10-6-8-12(3)4/h11-13H,5-10H2,1-4H3.
What are the key properties of 4-methyl-N-(4-methylpentyl)pentan-1-amine?
4-methyl-N-(4-methylpentyl)pentan-1-amine has a molecular weight of 185.35 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-methylpentyl)pentan-1-amine is sourced from PubChem (CID 575039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).