(1E,3Z)-3,4,7-trimethylocta-1,3-dien-1-amine

C11H21N — CID 134400549

IUPAC(1E,3Z)-3,4,7-trimethylocta-1,3-dien-1-amine
SMILESCC(/C=C/N)=C(\C)CCC(C)C
InChIInChI=1S/C11H21N/c1-9(2)5-6-10(3)11(4)7-8-12/h7-9H,5-6,12H2,1-4H3/b8-7+,11-10-
InChIKeyREJKOBBSUYIICS-LFOHPMNASA-N
MW167.30 g/mol
LogP3.23
Rot. Bonds4

About (1E,3Z)-3,4,7-trimethylocta-1,3-dien-1-amine

(1E,3Z)-3,4,7-trimethylocta-1,3-dien-1-amine (PubChem CID 134400549) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (1E,3Z)-3,4,7-trimethylocta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E,3Z)-3,4,7-trimethylocta-1,3-dien-1-amine
PubChem CID134400549
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(1E,3Z)-3,4,7-trimethylocta-1,3-dien-1-amine
SMILESCC(/C=C/N)=C(\C)CCC(C)C
InChIInChI=1S/C11H21N/c1-9(2)5-6-10(3)11(4)7-8-12/h7-9H,5-6,12H2,1-4H3/b8-7+,11-10-
InChIKeyREJKOBBSUYIICS-LFOHPMNASA-N
XLogP3.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1E,3Z)-3,4,7-trimethylocta-1,3-dien-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)-3,4,7-trimethylocta-1,3-dien-1-amine?
The IUPAC name of (1E,3Z)-3,4,7-trimethylocta-1,3-dien-1-amine (CID 134400549) is (1E,3Z)-3,4,7-trimethylocta-1,3-dien-1-amine.
What is the SMILES notation for (1E,3Z)-3,4,7-trimethylocta-1,3-dien-1-amine?
The canonical SMILES for (1E,3Z)-3,4,7-trimethylocta-1,3-dien-1-amine is CC(/C=C/N)=C(\C)CCC(C)C.
What is the InChIKey of (1E,3Z)-3,4,7-trimethylocta-1,3-dien-1-amine?
The InChIKey is REJKOBBSUYIICS-LFOHPMNASA-N. The full InChI is InChI=1S/C11H21N/c1-9(2)5-6-10(3)11(4)7-8-12/h7-9H,5-6,12H2,1-4H3/b8-7+,11-10-.
What are the key properties of (1E,3Z)-3,4,7-trimethylocta-1,3-dien-1-amine?
(1E,3Z)-3,4,7-trimethylocta-1,3-dien-1-amine has a molecular weight of 167.30 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-3,4,7-trimethylocta-1,3-dien-1-amine is sourced from PubChem (CID 134400549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).