N-[(3E)-3-methyl-4-(methylideneamino)penta-1,3-dien-2-yl]ethanimine

C9H14N2 — CID 123241614

IUPACN-[(3E)-3-methyl-4-(methylideneamino)penta-1,3-dien-2-yl]ethanimine
SMILESC=N/C(C)=C(\C)C(=C)/N=C/C
InChIInChI=1S/C9H14N2/c1-6-11-9(4)7(2)8(3)10-5/h6H,4-5H2,1-3H3/b8-7+,11-6+
InChIKeyBVRNWUSTXHNTRP-AHMRAIAHSA-N
MW150.22 g/mol
LogP2.59
Rot. Bonds3

About N-[(3E)-3-methyl-4-(methylideneamino)penta-1,3-dien-2-yl]ethanimine

N-[(3E)-3-methyl-4-(methylideneamino)penta-1,3-dien-2-yl]ethanimine (PubChem CID 123241614) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is N-[(3E)-3-methyl-4-(methylideneamino)penta-1,3-dien-2-yl]ethanimine.

Molecular Properties

Compound NameN-[(3E)-3-methyl-4-(methylideneamino)penta-1,3-dien-2-yl]ethanimine
PubChem CID123241614
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC NameN-[(3E)-3-methyl-4-(methylideneamino)penta-1,3-dien-2-yl]ethanimine
SMILESC=N/C(C)=C(\C)C(=C)/N=C/C
InChIInChI=1S/C9H14N2/c1-6-11-9(4)7(2)8(3)10-5/h6H,4-5H2,1-3H3/b8-7+,11-6+
InChIKeyBVRNWUSTXHNTRP-AHMRAIAHSA-N
XLogP2.59
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(3E)-3-methyl-4-(methylideneamino)penta-1,3-dien-2-yl]ethanimine 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

N-[(3E,5E)-5-fluoro-3-methylhepta-1,3,5-trien-4-yl]ethanimine
CID 142004197
4,5-dimethyl-6-methylidene-3H-pyridine
CID 89005508
N-[(2Z)-4-methylpenta-2,4-dien-2-yl]ethanimine
CID 89038846
N-[(3E,5Z)-3-methylhepta-1,3,5-trien-4-yl]prop-2-en-1-imine
CID 89502556
N-[(3E,5Z)-3-methylhepta-1,3,5-trien-2-yl]prop-2-en-1-imine
CID 90070795
N-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]propan-1-imine
CID 90734347
N-[(3Z)-3-[(methylideneamino)methyl]penta-1,3-dien-2-yl]ethanimine
CID 90886674
4,5-dimethyl-6-methylidene-3H-pyridine;ethane
CID 91289295
N-[(3E)-3-methylhexa-1,3-dien-2-yl]ethanimine
CID 91451392
N-(3-methylpenta-1,3-dien-2-yl)ethanimine
CID 91483413
(Z)-N-[(3E)-3-methylpenta-1,3-dien-2-yl]but-2-en-1-imine
CID 117656645
1-N-(3,6-dimethylhepta-1,3,5-trien-2-yl)-2-N-methylpropane-1,2-diimine
CID 123154836

Frequently Asked Questions

What is the IUPAC name of N-[(3E)-3-methyl-4-(methylideneamino)penta-1,3-dien-2-yl]ethanimine?
The IUPAC name of N-[(3E)-3-methyl-4-(methylideneamino)penta-1,3-dien-2-yl]ethanimine (CID 123241614) is N-[(3E)-3-methyl-4-(methylideneamino)penta-1,3-dien-2-yl]ethanimine.
What is the SMILES notation for N-[(3E)-3-methyl-4-(methylideneamino)penta-1,3-dien-2-yl]ethanimine?
The canonical SMILES for N-[(3E)-3-methyl-4-(methylideneamino)penta-1,3-dien-2-yl]ethanimine is C=N/C(C)=C(\C)C(=C)/N=C/C.
What is the InChIKey of N-[(3E)-3-methyl-4-(methylideneamino)penta-1,3-dien-2-yl]ethanimine?
The InChIKey is BVRNWUSTXHNTRP-AHMRAIAHSA-N. The full InChI is InChI=1S/C9H14N2/c1-6-11-9(4)7(2)8(3)10-5/h6H,4-5H2,1-3H3/b8-7+,11-6+.
What are the key properties of N-[(3E)-3-methyl-4-(methylideneamino)penta-1,3-dien-2-yl]ethanimine?
N-[(3E)-3-methyl-4-(methylideneamino)penta-1,3-dien-2-yl]ethanimine has a molecular weight of 150.22 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E)-3-methyl-4-(methylideneamino)penta-1,3-dien-2-yl]ethanimine is sourced from PubChem (CID 123241614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).