(1E,3Z,5Z)-3-propan-2-yl-2-(trifluoromethyl)hepta-1,3,5-trien-1-amine

C11H16F3N — CID 138607005

IUPAC(1E,3Z,5Z)-3-propan-2-yl-2-(trifluoromethyl)hepta-1,3,5-trien-1-amine
SMILESC/C=C\C=C(C(=C\N)/C(F)(F)F)\C(C)C
InChIInChI=1S/C11H16F3N/c1-4-5-6-9(8(2)3)10(7-15)11(12,13)14/h4-8H,15H2,1-3H3/b5-4-,9-6-,10-7+
InChIKeyXOPHRVPWJDGPBE-NZPKQRPTSA-N
MW219.25 g/mol
LogP3.55
Rot. Bonds3

About (1E,3Z,5Z)-3-propan-2-yl-2-(trifluoromethyl)hepta-1,3,5-trien-1-amine

(1E,3Z,5Z)-3-propan-2-yl-2-(trifluoromethyl)hepta-1,3,5-trien-1-amine (PubChem CID 138607005) has the molecular formula C11H16F3N and a molecular weight of 219.25 g/mol. Its IUPAC name is (1E,3Z,5Z)-3-propan-2-yl-2-(trifluoromethyl)hepta-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1E,3Z,5Z)-3-propan-2-yl-2-(trifluoromethyl)hepta-1,3,5-trien-1-amine
PubChem CID138607005
Molecular FormulaC11H16F3N
Molecular Weight219.25 g/mol
Exact Mass219.12
IUPAC Name(1E,3Z,5Z)-3-propan-2-yl-2-(trifluoromethyl)hepta-1,3,5-trien-1-amine
SMILESC/C=C\C=C(C(=C\N)/C(F)(F)F)\C(C)C
InChIInChI=1S/C11H16F3N/c1-4-5-6-9(8(2)3)10(7-15)11(12,13)14/h4-8H,15H2,1-3H3/b5-4-,9-6-,10-7+
InChIKeyXOPHRVPWJDGPBE-NZPKQRPTSA-N
XLogP3.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1E,3Z,5Z)-3-propan-2-yl-2-(trifluoromethyl)hepta-1,3,5-trien-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 (1E,3Z,5Z)-3-propan-2-yl-2-(trifluoromethyl)hepta-1,3,5-trien-1-amine?
The IUPAC name of (1E,3Z,5Z)-3-propan-2-yl-2-(trifluoromethyl)hepta-1,3,5-trien-1-amine (CID 138607005) is (1E,3Z,5Z)-3-propan-2-yl-2-(trifluoromethyl)hepta-1,3,5-trien-1-amine.
What is the SMILES notation for (1E,3Z,5Z)-3-propan-2-yl-2-(trifluoromethyl)hepta-1,3,5-trien-1-amine?
The canonical SMILES for (1E,3Z,5Z)-3-propan-2-yl-2-(trifluoromethyl)hepta-1,3,5-trien-1-amine is C/C=C\C=C(C(=C\N)/C(F)(F)F)\C(C)C.
What is the InChIKey of (1E,3Z,5Z)-3-propan-2-yl-2-(trifluoromethyl)hepta-1,3,5-trien-1-amine?
The InChIKey is XOPHRVPWJDGPBE-NZPKQRPTSA-N. The full InChI is InChI=1S/C11H16F3N/c1-4-5-6-9(8(2)3)10(7-15)11(12,13)14/h4-8H,15H2,1-3H3/b5-4-,9-6-,10-7+.
What are the key properties of (1E,3Z,5Z)-3-propan-2-yl-2-(trifluoromethyl)hepta-1,3,5-trien-1-amine?
(1E,3Z,5Z)-3-propan-2-yl-2-(trifluoromethyl)hepta-1,3,5-trien-1-amine has a molecular weight of 219.25 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z,5Z)-3-propan-2-yl-2-(trifluoromethyl)hepta-1,3,5-trien-1-amine is sourced from PubChem (CID 138607005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).