4,4-dimethyl-N-(2,2,2-trifluoroethyl)hexan-1-amine

C10H20F3N — CID 129033941

IUPAC4,4-dimethyl-N-(2,2,2-trifluoroethyl)hexan-1-amine
SMILESCCC(C)(C)CCCNCC(F)(F)F
InChIInChI=1S/C10H20F3N/c1-4-9(2,3)6-5-7-14-8-10(11,12)13/h14H,4-8H2,1-3H3
InChIKeyBCDNOGYVKHKZHV-UHFFFAOYSA-N
MW211.27 g/mol
LogP3.35
Rot. Bonds6

About 4,4-dimethyl-N-(2,2,2-trifluoroethyl)hexan-1-amine

4,4-dimethyl-N-(2,2,2-trifluoroethyl)hexan-1-amine (PubChem CID 129033941) has the molecular formula C10H20F3N and a molecular weight of 211.27 g/mol. Its IUPAC name is 4,4-dimethyl-N-(2,2,2-trifluoroethyl)hexan-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-N-(2,2,2-trifluoroethyl)hexan-1-amine
PubChem CID129033941
Molecular FormulaC10H20F3N
Molecular Weight211.27 g/mol
Exact Mass211.15
IUPAC Name4,4-dimethyl-N-(2,2,2-trifluoroethyl)hexan-1-amine
SMILESCCC(C)(C)CCCNCC(F)(F)F
InChIInChI=1S/C10H20F3N/c1-4-9(2,3)6-5-7-14-8-10(11,12)13/h14H,4-8H2,1-3H3
InChIKeyBCDNOGYVKHKZHV-UHFFFAOYSA-N
XLogP3.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4,4-dimethyl-N-(2,2,2-trifluoroethyl)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 4,4-dimethyl-N-(2,2,2-trifluoroethyl)hexan-1-amine?
The IUPAC name of 4,4-dimethyl-N-(2,2,2-trifluoroethyl)hexan-1-amine (CID 129033941) is 4,4-dimethyl-N-(2,2,2-trifluoroethyl)hexan-1-amine.
What is the SMILES notation for 4,4-dimethyl-N-(2,2,2-trifluoroethyl)hexan-1-amine?
The canonical SMILES for 4,4-dimethyl-N-(2,2,2-trifluoroethyl)hexan-1-amine is CCC(C)(C)CCCNCC(F)(F)F.
What is the InChIKey of 4,4-dimethyl-N-(2,2,2-trifluoroethyl)hexan-1-amine?
The InChIKey is BCDNOGYVKHKZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N/c1-4-9(2,3)6-5-7-14-8-10(11,12)13/h14H,4-8H2,1-3H3.
What are the key properties of 4,4-dimethyl-N-(2,2,2-trifluoroethyl)hexan-1-amine?
4,4-dimethyl-N-(2,2,2-trifluoroethyl)hexan-1-amine has a molecular weight of 211.27 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 4,4-dimethyl-N-(2,2,2-trifluoroethyl)hexan-1-amine is sourced from PubChem (CID 129033941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).