N-[(3E)-4-(ethylideneamino)-2-methylpenta-1,3-dien-3-yl]-3-methylbut-3-en-2-imine

C13H20N2 — CID 166944064

IUPACN-[(3E)-4-(ethylideneamino)-2-methylpenta-1,3-dien-3-yl]-3-methylbut-3-en-2-imine
SMILESC=C(C)/C(C)=N/C(C(=C)C)=C(C)/N=C/C
InChIInChI=1S/C13H20N2/c1-8-14-12(7)13(10(4)5)15-11(6)9(2)3/h8H,2,4H2,1,3,5-7H3/b13-12+,14-8+,15-11+
InChIKeyAVZDVUNZPDGPMO-BCLYCDLASA-N
MW204.32 g/mol
LogP3.92
Rot. Bonds4

About N-[(3E)-4-(ethylideneamino)-2-methylpenta-1,3-dien-3-yl]-3-methylbut-3-en-2-imine

N-[(3E)-4-(ethylideneamino)-2-methylpenta-1,3-dien-3-yl]-3-methylbut-3-en-2-imine (PubChem CID 166944064) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N-[(3E)-4-(ethylideneamino)-2-methylpenta-1,3-dien-3-yl]-3-methylbut-3-en-2-imine.

Molecular Properties

Compound NameN-[(3E)-4-(ethylideneamino)-2-methylpenta-1,3-dien-3-yl]-3-methylbut-3-en-2-imine
PubChem CID166944064
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN-[(3E)-4-(ethylideneamino)-2-methylpenta-1,3-dien-3-yl]-3-methylbut-3-en-2-imine
SMILESC=C(C)/C(C)=N/C(C(=C)C)=C(C)/N=C/C
InChIInChI=1S/C13H20N2/c1-8-14-12(7)13(10(4)5)15-11(6)9(2)3/h8H,2,4H2,1,3,5-7H3/b13-12+,14-8+,15-11+
InChIKeyAVZDVUNZPDGPMO-BCLYCDLASA-N
XLogP3.92
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.92
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)-4-(ethylideneamino)-2-methylpenta-1,3-dien-3-yl]-3-methylbut-3-en-2-imine 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,5Z)-4-fluoro-2,5-dimethylhepta-1,3,5-trien-3-yl]ethanimine
CID 163986819
(3Z)-3-(methyliminomethyl)hexa-1,3-dien-2-amine
CID 60123978
7-[(1Z)-buta-1,3-dienyl]-6-methyl-3H-azepine
CID 88243648
(2E)-N-methyl-2-(3-methylidene-2-pyridinylidene)ethanimine
CID 88271063
(Z)-N-[(4E,6Z)-4-ethenyl-6-methylnona-1,2,4,6-tetraen-3-yl]but-2-en-1-imine
CID 88886230
(2Z,4E)-4-methyl-N-[(2E)-penta-2,4-dien-2-yl]hepta-2,4-dien-1-imine
CID 89046003
(2Z,4E,6Z)-N-methyl-6-(2-methylidene-3-pyridinylidene)hexa-2,4-dien-1-imine
CID 89112517
N-[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]prop-2-en-1-imine
CID 89278502
N-[(4Z)-2,6-dimethylhepta-2,4,6-trien-3-yl]-2-methylprop-2-en-1-imine
CID 89426810
N-[(2Z,4E)-4-ethylhexa-2,4-dien-3-yl]propan-1-imine
CID 89881302
3-[(ethylideneamino)methylidene]-N-methylocta-1,5-dien-4-imine
CID 90685395
2-N-(2,5-dimethyl-4-methylidenehex-2-en-3-yl)-1-N-ethylbutane-1,2-diimine
CID 90756119

Frequently Asked Questions

What is the IUPAC name of N-[(3E)-4-(ethylideneamino)-2-methylpenta-1,3-dien-3-yl]-3-methylbut-3-en-2-imine?
The IUPAC name of N-[(3E)-4-(ethylideneamino)-2-methylpenta-1,3-dien-3-yl]-3-methylbut-3-en-2-imine (CID 166944064) is N-[(3E)-4-(ethylideneamino)-2-methylpenta-1,3-dien-3-yl]-3-methylbut-3-en-2-imine.
What is the SMILES notation for N-[(3E)-4-(ethylideneamino)-2-methylpenta-1,3-dien-3-yl]-3-methylbut-3-en-2-imine?
The canonical SMILES for N-[(3E)-4-(ethylideneamino)-2-methylpenta-1,3-dien-3-yl]-3-methylbut-3-en-2-imine is C=C(C)/C(C)=N/C(C(=C)C)=C(C)/N=C/C.
What is the InChIKey of N-[(3E)-4-(ethylideneamino)-2-methylpenta-1,3-dien-3-yl]-3-methylbut-3-en-2-imine?
The InChIKey is AVZDVUNZPDGPMO-BCLYCDLASA-N. The full InChI is InChI=1S/C13H20N2/c1-8-14-12(7)13(10(4)5)15-11(6)9(2)3/h8H,2,4H2,1,3,5-7H3/b13-12+,14-8+,15-11+.
What are the key properties of N-[(3E)-4-(ethylideneamino)-2-methylpenta-1,3-dien-3-yl]-3-methylbut-3-en-2-imine?
N-[(3E)-4-(ethylideneamino)-2-methylpenta-1,3-dien-3-yl]-3-methylbut-3-en-2-imine has a molecular weight of 204.32 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E)-4-(ethylideneamino)-2-methylpenta-1,3-dien-3-yl]-3-methylbut-3-en-2-imine is sourced from PubChem (CID 166944064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).