(2E,6E,9R)-4,9-dimethyl-8-(trifluoromethyl)undeca-2,6-dien-3-amine

C14H24F3N — CID 155471437

IUPAC(2E,6E,9R)-4,9-dimethyl-8-(trifluoromethyl)undeca-2,6-dien-3-amine
SMILESC/C=C(/N)C(C)C/C=C/C([C@H](C)CC)C(F)(F)F
InChIInChI=1S/C14H24F3N/c1-5-10(3)12(14(15,16)17)9-7-8-11(4)13(18)6-2/h6-7,9-12H,5,8,18H2,1-4H3/b9-7+,13-6+/t10-,11?,12?/m1/s1
InChIKeyIXFZVUMXLSASOO-IYAXUPKRSA-N
MW263.35 g/mol
LogP4.66
Rot. Bonds6

About (2E,6E,9R)-4,9-dimethyl-8-(trifluoromethyl)undeca-2,6-dien-3-amine

(2E,6E,9R)-4,9-dimethyl-8-(trifluoromethyl)undeca-2,6-dien-3-amine (PubChem CID 155471437) has the molecular formula C14H24F3N and a molecular weight of 263.35 g/mol. Its IUPAC name is (2E,6E,9R)-4,9-dimethyl-8-(trifluoromethyl)undeca-2,6-dien-3-amine.

Molecular Properties

Compound Name(2E,6E,9R)-4,9-dimethyl-8-(trifluoromethyl)undeca-2,6-dien-3-amine
PubChem CID155471437
Molecular FormulaC14H24F3N
Molecular Weight263.35 g/mol
Exact Mass263.19
IUPAC Name(2E,6E,9R)-4,9-dimethyl-8-(trifluoromethyl)undeca-2,6-dien-3-amine
SMILESC/C=C(/N)C(C)C/C=C/C([C@H](C)CC)C(F)(F)F
InChIInChI=1S/C14H24F3N/c1-5-10(3)12(14(15,16)17)9-7-8-11(4)13(18)6-2/h6-7,9-12H,5,8,18H2,1-4H3/b9-7+,13-6+/t10-,11?,12?/m1/s1
InChIKeyIXFZVUMXLSASOO-IYAXUPKRSA-N
XLogP4.66
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.35
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E,6E,9R)-4,9-dimethyl-8-(trifluoromethyl)undeca-2,6-dien-3-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 (2E,6E,9R)-4,9-dimethyl-8-(trifluoromethyl)undeca-2,6-dien-3-amine?
The IUPAC name of (2E,6E,9R)-4,9-dimethyl-8-(trifluoromethyl)undeca-2,6-dien-3-amine (CID 155471437) is (2E,6E,9R)-4,9-dimethyl-8-(trifluoromethyl)undeca-2,6-dien-3-amine.
What is the SMILES notation for (2E,6E,9R)-4,9-dimethyl-8-(trifluoromethyl)undeca-2,6-dien-3-amine?
The canonical SMILES for (2E,6E,9R)-4,9-dimethyl-8-(trifluoromethyl)undeca-2,6-dien-3-amine is C/C=C(/N)C(C)C/C=C/C([C@H](C)CC)C(F)(F)F.
What is the InChIKey of (2E,6E,9R)-4,9-dimethyl-8-(trifluoromethyl)undeca-2,6-dien-3-amine?
The InChIKey is IXFZVUMXLSASOO-IYAXUPKRSA-N. The full InChI is InChI=1S/C14H24F3N/c1-5-10(3)12(14(15,16)17)9-7-8-11(4)13(18)6-2/h6-7,9-12H,5,8,18H2,1-4H3/b9-7+,13-6+/t10-,11?,12?/m1/s1.
What are the key properties of (2E,6E,9R)-4,9-dimethyl-8-(trifluoromethyl)undeca-2,6-dien-3-amine?
(2E,6E,9R)-4,9-dimethyl-8-(trifluoromethyl)undeca-2,6-dien-3-amine has a molecular weight of 263.35 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E,9R)-4,9-dimethyl-8-(trifluoromethyl)undeca-2,6-dien-3-amine is sourced from PubChem (CID 155471437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).