(3E,5E)-4-methyl-2-prop-2-enylnona-3,5-diene-1,9-diimine

C13H20N2 — CID 118642051

IUPAC(3E,5E)-4-methyl-2-prop-2-enylnona-3,5-diene-1,9-diimine
SMILES[H]/N=C/CC/C=C/C(C)=C/C(/C=N/[H])CC=C
InChIInChI=1S/C13H20N2/c1-3-7-13(11-15)10-12(2)8-5-4-6-9-14/h3,5,8-11,13-15H,1,4,6-7H2,2H3/b8-5+,12-10+,14-9+,15-11+
InChIKeyNEQXZDMUDHIXAY-UCHMOJRTSA-N
MW204.32 g/mol
LogP3.76
Rot. Bonds8

About (3E,5E)-4-methyl-2-prop-2-enylnona-3,5-diene-1,9-diimine

(3E,5E)-4-methyl-2-prop-2-enylnona-3,5-diene-1,9-diimine (PubChem CID 118642051) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is (3E,5E)-4-methyl-2-prop-2-enylnona-3,5-diene-1,9-diimine.

Molecular Properties

Compound Name(3E,5E)-4-methyl-2-prop-2-enylnona-3,5-diene-1,9-diimine
PubChem CID118642051
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name(3E,5E)-4-methyl-2-prop-2-enylnona-3,5-diene-1,9-diimine
SMILES[H]/N=C/CC/C=C/C(C)=C/C(/C=N/[H])CC=C
InChIInChI=1S/C13H20N2/c1-3-7-13(11-15)10-12(2)8-5-4-6-9-14/h3,5,8-11,13-15H,1,4,6-7H2,2H3/b8-5+,12-10+,14-9+,15-11+
InChIKeyNEQXZDMUDHIXAY-UCHMOJRTSA-N
XLogP3.76
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3E,5E)-4-methyl-2-prop-2-enylnona-3,5-diene-1,9-diimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-Fluoro-5-methylcyclohexa-2,4-dien-1-yl)methanimine
CID 163700177
(2E,5E,8E,10E)-11-fluoro-3,4,6-trimethyldodeca-2,5,8,10-tetraen-1-imine
CID 143603539
(6Z)-2-ethyl-5-(trifluoromethyl)octa-4,6-dien-1-imine
CID 145644627
Cyclohexa-2,4-dien-1-ylmethanimine
CID 19375494
(2E)-3-propan-2-ylpenta-2,4-dien-1-imine
CID 58352423
(4Z)-N,5-dimethyl-2-prop-2-enylhepta-4,6-dien-1-imine
CID 87160355
(4-Methylcyclohexa-2,4-dien-1-yl)methanimine
CID 88562250
(3Z,5Z)-2-methylhepta-3,5-dien-1-imine
CID 88580906
(6Z,8Z)-4-propylundeca-6,8,10-trien-1-imine
CID 88960923
(Z)-4-ethenylhept-4-en-1-imine
CID 88992986
(3E,5Z)-3-methylhepta-3,5-dien-1-imine
CID 89097622
(4Z)-2,2,5,7-tetramethylocta-4,6-dien-1-imine
CID 89269440

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-4-methyl-2-prop-2-enylnona-3,5-diene-1,9-diimine?
The IUPAC name of (3E,5E)-4-methyl-2-prop-2-enylnona-3,5-diene-1,9-diimine (CID 118642051) is (3E,5E)-4-methyl-2-prop-2-enylnona-3,5-diene-1,9-diimine.
What is the SMILES notation for (3E,5E)-4-methyl-2-prop-2-enylnona-3,5-diene-1,9-diimine?
The canonical SMILES for (3E,5E)-4-methyl-2-prop-2-enylnona-3,5-diene-1,9-diimine is [H]/N=C/CC/C=C/C(C)=C/C(/C=N/[H])CC=C.
What is the InChIKey of (3E,5E)-4-methyl-2-prop-2-enylnona-3,5-diene-1,9-diimine?
The InChIKey is NEQXZDMUDHIXAY-UCHMOJRTSA-N. The full InChI is InChI=1S/C13H20N2/c1-3-7-13(11-15)10-12(2)8-5-4-6-9-14/h3,5,8-11,13-15H,1,4,6-7H2,2H3/b8-5+,12-10+,14-9+,15-11+.
What are the key properties of (3E,5E)-4-methyl-2-prop-2-enylnona-3,5-diene-1,9-diimine?
(3E,5E)-4-methyl-2-prop-2-enylnona-3,5-diene-1,9-diimine has a molecular weight of 204.32 g/mol, XLogP of 3.76, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-4-methyl-2-prop-2-enylnona-3,5-diene-1,9-diimine is sourced from PubChem (CID 118642051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).