1,6-difluoro-N-(4-methylpentyl)hexan-1-amine

C12H25F2N — CID 22349072

IUPAC1,6-difluoro-N-(4-methylpentyl)hexan-1-amine
SMILESCC(C)CCCNC(F)CCCCCF
InChIInChI=1S/C12H25F2N/c1-11(2)7-6-10-15-12(14)8-4-3-5-9-13/h11-12,15H,3-10H2,1-2H3
InChIKeyHIOIQQWQCXJKJH-UHFFFAOYSA-N
MW221.33 g/mol
LogP3.84
Rot. Bonds10

About 1,6-difluoro-N-(4-methylpentyl)hexan-1-amine

1,6-difluoro-N-(4-methylpentyl)hexan-1-amine (PubChem CID 22349072) has the molecular formula C12H25F2N and a molecular weight of 221.33 g/mol. Its IUPAC name is 1,6-difluoro-N-(4-methylpentyl)hexan-1-amine.

Molecular Properties

Compound Name1,6-difluoro-N-(4-methylpentyl)hexan-1-amine
PubChem CID22349072
Molecular FormulaC12H25F2N
Molecular Weight221.33 g/mol
Exact Mass221.20
IUPAC Name1,6-difluoro-N-(4-methylpentyl)hexan-1-amine
SMILESCC(C)CCCNC(F)CCCCCF
InChIInChI=1S/C12H25F2N/c1-11(2)7-6-10-15-12(14)8-4-3-5-9-13/h11-12,15H,3-10H2,1-2H3
InChIKeyHIOIQQWQCXJKJH-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 1,6-difluoro-N-(4-methylpentyl)hexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,6-difluoro-N-(4-methylpentyl)hexan-1-amine?
The IUPAC name of 1,6-difluoro-N-(4-methylpentyl)hexan-1-amine (CID 22349072) is 1,6-difluoro-N-(4-methylpentyl)hexan-1-amine.
What is the SMILES notation for 1,6-difluoro-N-(4-methylpentyl)hexan-1-amine?
The canonical SMILES for 1,6-difluoro-N-(4-methylpentyl)hexan-1-amine is CC(C)CCCNC(F)CCCCCF.
What is the InChIKey of 1,6-difluoro-N-(4-methylpentyl)hexan-1-amine?
The InChIKey is HIOIQQWQCXJKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25F2N/c1-11(2)7-6-10-15-12(14)8-4-3-5-9-13/h11-12,15H,3-10H2,1-2H3.
What are the key properties of 1,6-difluoro-N-(4-methylpentyl)hexan-1-amine?
1,6-difluoro-N-(4-methylpentyl)hexan-1-amine has a molecular weight of 221.33 g/mol, XLogP of 3.84, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-difluoro-N-(4-methylpentyl)hexan-1-amine is sourced from PubChem (CID 22349072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).