(2Z,4Z)-N-butyl-1,1,1-trifluoro-5,6-dimethylocta-2,4-dien-2-amine

C14H24F3N — CID 162600980

IUPAC(2Z,4Z)-N-butyl-1,1,1-trifluoro-5,6-dimethylocta-2,4-dien-2-amine
SMILESCCCCN/C(=C\C=C(\C)C(C)CC)C(F)(F)F
InChIInChI=1S/C14H24F3N/c1-5-7-10-18-13(14(15,16)17)9-8-12(4)11(3)6-2/h8-9,11,18H,5-7,10H2,1-4H3/b12-8-,13-9-
InChIKeyQHXMTDQEGCDMPM-JMVBYTIWSA-N
MW263.35 g/mol
LogP4.81
Rot. Bonds7

About (2Z,4Z)-N-butyl-1,1,1-trifluoro-5,6-dimethylocta-2,4-dien-2-amine

(2Z,4Z)-N-butyl-1,1,1-trifluoro-5,6-dimethylocta-2,4-dien-2-amine (PubChem CID 162600980) has the molecular formula C14H24F3N and a molecular weight of 263.35 g/mol. Its IUPAC name is (2Z,4Z)-N-butyl-1,1,1-trifluoro-5,6-dimethylocta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2Z,4Z)-N-butyl-1,1,1-trifluoro-5,6-dimethylocta-2,4-dien-2-amine
PubChem CID162600980
Molecular FormulaC14H24F3N
Molecular Weight263.35 g/mol
Exact Mass263.19
IUPAC Name(2Z,4Z)-N-butyl-1,1,1-trifluoro-5,6-dimethylocta-2,4-dien-2-amine
SMILESCCCCN/C(=C\C=C(\C)C(C)CC)C(F)(F)F
InChIInChI=1S/C14H24F3N/c1-5-7-10-18-13(14(15,16)17)9-8-12(4)11(3)6-2/h8-9,11,18H,5-7,10H2,1-4H3/b12-8-,13-9-
InChIKeyQHXMTDQEGCDMPM-JMVBYTIWSA-N
XLogP4.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.35
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2Z,4Z)-N-butyl-1,1,1-trifluoro-5,6-dimethylocta-2,4-dien-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 (2Z,4Z)-N-butyl-1,1,1-trifluoro-5,6-dimethylocta-2,4-dien-2-amine?
The IUPAC name of (2Z,4Z)-N-butyl-1,1,1-trifluoro-5,6-dimethylocta-2,4-dien-2-amine (CID 162600980) is (2Z,4Z)-N-butyl-1,1,1-trifluoro-5,6-dimethylocta-2,4-dien-2-amine.
What is the SMILES notation for (2Z,4Z)-N-butyl-1,1,1-trifluoro-5,6-dimethylocta-2,4-dien-2-amine?
The canonical SMILES for (2Z,4Z)-N-butyl-1,1,1-trifluoro-5,6-dimethylocta-2,4-dien-2-amine is CCCCN/C(=C\C=C(\C)C(C)CC)C(F)(F)F.
What is the InChIKey of (2Z,4Z)-N-butyl-1,1,1-trifluoro-5,6-dimethylocta-2,4-dien-2-amine?
The InChIKey is QHXMTDQEGCDMPM-JMVBYTIWSA-N. The full InChI is InChI=1S/C14H24F3N/c1-5-7-10-18-13(14(15,16)17)9-8-12(4)11(3)6-2/h8-9,11,18H,5-7,10H2,1-4H3/b12-8-,13-9-.
What are the key properties of (2Z,4Z)-N-butyl-1,1,1-trifluoro-5,6-dimethylocta-2,4-dien-2-amine?
(2Z,4Z)-N-butyl-1,1,1-trifluoro-5,6-dimethylocta-2,4-dien-2-amine has a molecular weight of 263.35 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-N-butyl-1,1,1-trifluoro-5,6-dimethylocta-2,4-dien-2-amine is sourced from PubChem (CID 162600980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).