1,1,1-trifluoro-N,4-dimethyl-N-(4-methylpentyl)pentan-2-amine

C13H26F3N — CID 163278200

IUPAC1,1,1-trifluoro-N,4-dimethyl-N-(4-methylpentyl)pentan-2-amine
SMILESCC(C)CCCN(C)C(CC(C)C)C(F)(F)F
InChIInChI=1S/C13H26F3N/c1-10(2)7-6-8-17(5)12(9-11(3)4)13(14,15)16/h10-12H,6-9H2,1-5H3
InChIKeyAMZRKQBMKYEZAC-UHFFFAOYSA-N
MW253.35 g/mol
LogP4.33
Rot. Bonds7

About 1,1,1-trifluoro-N,4-dimethyl-N-(4-methylpentyl)pentan-2-amine

1,1,1-trifluoro-N,4-dimethyl-N-(4-methylpentyl)pentan-2-amine (PubChem CID 163278200) has the molecular formula C13H26F3N and a molecular weight of 253.35 g/mol. Its IUPAC name is 1,1,1-trifluoro-N,4-dimethyl-N-(4-methylpentyl)pentan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-N,4-dimethyl-N-(4-methylpentyl)pentan-2-amine
PubChem CID163278200
Molecular FormulaC13H26F3N
Molecular Weight253.35 g/mol
Exact Mass253.20
IUPAC Name1,1,1-trifluoro-N,4-dimethyl-N-(4-methylpentyl)pentan-2-amine
SMILESCC(C)CCCN(C)C(CC(C)C)C(F)(F)F
InChIInChI=1S/C13H26F3N/c1-10(2)7-6-8-17(5)12(9-11(3)4)13(14,15)16/h10-12H,6-9H2,1-5H3
InChIKeyAMZRKQBMKYEZAC-UHFFFAOYSA-N
XLogP4.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,1,1-trifluoro-N,4-dimethyl-N-(4-methylpentyl)pentan-2-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 1,1,1-trifluoro-N,4-dimethyl-N-(4-methylpentyl)pentan-2-amine?
The IUPAC name of 1,1,1-trifluoro-N,4-dimethyl-N-(4-methylpentyl)pentan-2-amine (CID 163278200) is 1,1,1-trifluoro-N,4-dimethyl-N-(4-methylpentyl)pentan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-N,4-dimethyl-N-(4-methylpentyl)pentan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-N,4-dimethyl-N-(4-methylpentyl)pentan-2-amine is CC(C)CCCN(C)C(CC(C)C)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N,4-dimethyl-N-(4-methylpentyl)pentan-2-amine?
The InChIKey is AMZRKQBMKYEZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F3N/c1-10(2)7-6-8-17(5)12(9-11(3)4)13(14,15)16/h10-12H,6-9H2,1-5H3.
What are the key properties of 1,1,1-trifluoro-N,4-dimethyl-N-(4-methylpentyl)pentan-2-amine?
1,1,1-trifluoro-N,4-dimethyl-N-(4-methylpentyl)pentan-2-amine has a molecular weight of 253.35 g/mol, XLogP of 4.33, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N,4-dimethyl-N-(4-methylpentyl)pentan-2-amine is sourced from PubChem (CID 163278200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).