(1E,3Z,5Z)-hepta-1,3,5-trien-1-amine

C7H11N — CID 89016465

IUPAC(1E,3Z,5Z)-hepta-1,3,5-trien-1-amine
SMILESC/C=C\C=C/C=C/N
InChIInChI=1S/C7H11N/c1-2-3-4-5-6-7-8/h2-7H,8H2,1H3/b3-2-,5-4-,7-6+
InChIKeyFLAGLLOGEWMKRO-MUVPYGFYSA-N
MW109.17 g/mol
LogP1.59
Rot. Bonds2

About (1E,3Z,5Z)-hepta-1,3,5-trien-1-amine

(1E,3Z,5Z)-hepta-1,3,5-trien-1-amine (PubChem CID 89016465) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is (1E,3Z,5Z)-hepta-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1E,3Z,5Z)-hepta-1,3,5-trien-1-amine
PubChem CID89016465
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name(1E,3Z,5Z)-hepta-1,3,5-trien-1-amine
SMILESC/C=C\C=C/C=C/N
InChIInChI=1S/C7H11N/c1-2-3-4-5-6-7-8/h2-7H,8H2,1H3/b3-2-,5-4-,7-6+
InChIKeyFLAGLLOGEWMKRO-MUVPYGFYSA-N
XLogP1.59
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1E,3Z,5Z)-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)-hepta-1,3,5-trien-1-amine?
The IUPAC name of (1E,3Z,5Z)-hepta-1,3,5-trien-1-amine (CID 89016465) is (1E,3Z,5Z)-hepta-1,3,5-trien-1-amine.
What is the SMILES notation for (1E,3Z,5Z)-hepta-1,3,5-trien-1-amine?
The canonical SMILES for (1E,3Z,5Z)-hepta-1,3,5-trien-1-amine is C/C=C\C=C/C=C/N.
What is the InChIKey of (1E,3Z,5Z)-hepta-1,3,5-trien-1-amine?
The InChIKey is FLAGLLOGEWMKRO-MUVPYGFYSA-N. The full InChI is InChI=1S/C7H11N/c1-2-3-4-5-6-7-8/h2-7H,8H2,1H3/b3-2-,5-4-,7-6+.
What are the key properties of (1E,3Z,5Z)-hepta-1,3,5-trien-1-amine?
(1E,3Z,5Z)-hepta-1,3,5-trien-1-amine has a molecular weight of 109.17 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z,5Z)-hepta-1,3,5-trien-1-amine is sourced from PubChem (CID 89016465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).