(3E)-N,5-dimethylhexa-1,3,5-trien-3-amine

C8H13N — CID 88893053

IUPAC(3E)-N,5-dimethylhexa-1,3,5-trien-3-amine
SMILESC=C/C(=C\C(=C)C)NC
InChIInChI=1S/C8H13N/c1-5-8(9-4)6-7(2)3/h5-6,9H,1-2H2,3-4H3/b8-6+
InChIKeyZLBKVYLGGLIOLR-SOFGYWHQSA-N
MW123.20 g/mol
LogP1.85
Rot. Bonds3

About (3E)-N,5-dimethylhexa-1,3,5-trien-3-amine

(3E)-N,5-dimethylhexa-1,3,5-trien-3-amine (PubChem CID 88893053) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is (3E)-N,5-dimethylhexa-1,3,5-trien-3-amine.

Molecular Properties

Compound Name(3E)-N,5-dimethylhexa-1,3,5-trien-3-amine
PubChem CID88893053
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name(3E)-N,5-dimethylhexa-1,3,5-trien-3-amine
SMILESC=C/C(=C\C(=C)C)NC
InChIInChI=1S/C8H13N/c1-5-8(9-4)6-7(2)3/h5-6,9H,1-2H2,3-4H3/b8-6+
InChIKeyZLBKVYLGGLIOLR-SOFGYWHQSA-N
XLogP1.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3E)-N,5-dimethylhexa-1,3,5-trien-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 (3E)-N,5-dimethylhexa-1,3,5-trien-3-amine?
The IUPAC name of (3E)-N,5-dimethylhexa-1,3,5-trien-3-amine (CID 88893053) is (3E)-N,5-dimethylhexa-1,3,5-trien-3-amine.
What is the SMILES notation for (3E)-N,5-dimethylhexa-1,3,5-trien-3-amine?
The canonical SMILES for (3E)-N,5-dimethylhexa-1,3,5-trien-3-amine is C=C/C(=C\C(=C)C)NC.
What is the InChIKey of (3E)-N,5-dimethylhexa-1,3,5-trien-3-amine?
The InChIKey is ZLBKVYLGGLIOLR-SOFGYWHQSA-N. The full InChI is InChI=1S/C8H13N/c1-5-8(9-4)6-7(2)3/h5-6,9H,1-2H2,3-4H3/b8-6+.
What are the key properties of (3E)-N,5-dimethylhexa-1,3,5-trien-3-amine?
(3E)-N,5-dimethylhexa-1,3,5-trien-3-amine has a molecular weight of 123.20 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N,5-dimethylhexa-1,3,5-trien-3-amine is sourced from PubChem (CID 88893053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).