(3E,5Z)-N,3-dimethylocta-3,5,7-trien-4-amine;ethane;methanimine

C13H26N2 — CID 145153542

IUPAC(3E,5Z)-N,3-dimethylocta-3,5,7-trien-4-amine;ethane;methanimine
SMILESC=C/C=C\C(NC)=C(\C)CC.CC.[H]N=C
InChIInChI=1S/C10H17N.C2H6.CH3N/c1-5-7-8-10(11-4)9(3)6-2;2*1-2/h5,7-8,11H,1,6H2,2-4H3;1-2H3;2H,1H2/b8-7-,10-9+;;
InChIKeyVNJYGDUWRGWLHY-MURMZTFFSA-N
MW210.36 g/mol
LogP3.92
Rot. Bonds4

About (3E,5Z)-N,3-dimethylocta-3,5,7-trien-4-amine;ethane;methanimine

(3E,5Z)-N,3-dimethylocta-3,5,7-trien-4-amine;ethane;methanimine (PubChem CID 145153542) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is (3E,5Z)-N,3-dimethylocta-3,5,7-trien-4-amine;ethane;methanimine.

Molecular Properties

Compound Name(3E,5Z)-N,3-dimethylocta-3,5,7-trien-4-amine;ethane;methanimine
PubChem CID145153542
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name(3E,5Z)-N,3-dimethylocta-3,5,7-trien-4-amine;ethane;methanimine
SMILESC=C/C=C\C(NC)=C(\C)CC.CC.[H]N=C
InChIInChI=1S/C10H17N.C2H6.CH3N/c1-5-7-8-10(11-4)9(3)6-2;2*1-2/h5,7-8,11H,1,6H2,2-4H3;1-2H3;2H,1H2/b8-7-,10-9+;;
InChIKeyVNJYGDUWRGWLHY-MURMZTFFSA-N
XLogP3.92
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3E,5Z)-N,3-dimethylocta-3,5,7-trien-4-amine;ethane;methanimine 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,5Z)-N,3-dimethylocta-3,5,7-trien-4-amine;ethane;methanimine?
The IUPAC name of (3E,5Z)-N,3-dimethylocta-3,5,7-trien-4-amine;ethane;methanimine (CID 145153542) is (3E,5Z)-N,3-dimethylocta-3,5,7-trien-4-amine;ethane;methanimine.
What is the SMILES notation for (3E,5Z)-N,3-dimethylocta-3,5,7-trien-4-amine;ethane;methanimine?
The canonical SMILES for (3E,5Z)-N,3-dimethylocta-3,5,7-trien-4-amine;ethane;methanimine is C=C/C=C\C(NC)=C(\C)CC.CC.[H]N=C.
What is the InChIKey of (3E,5Z)-N,3-dimethylocta-3,5,7-trien-4-amine;ethane;methanimine?
The InChIKey is VNJYGDUWRGWLHY-MURMZTFFSA-N. The full InChI is InChI=1S/C10H17N.C2H6.CH3N/c1-5-7-8-10(11-4)9(3)6-2;2*1-2/h5,7-8,11H,1,6H2,2-4H3;1-2H3;2H,1H2/b8-7-,10-9+;;.
What are the key properties of (3E,5Z)-N,3-dimethylocta-3,5,7-trien-4-amine;ethane;methanimine?
(3E,5Z)-N,3-dimethylocta-3,5,7-trien-4-amine;ethane;methanimine has a molecular weight of 210.36 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-N,3-dimethylocta-3,5,7-trien-4-amine;ethane;methanimine is sourced from PubChem (CID 145153542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).