N,3-dimethylpenta-2,4-dien-1-imine

C7H11N — CID 91152501

IUPACN,3-dimethylpenta-2,4-dien-1-imine
SMILESC=CC(C)=C/C=N/C
InChIInChI=1S/C7H11N/c1-4-7(2)5-6-8-3/h4-6H,1H2,2-3H3/b7-5?,8-6+
InChIKeyOTDAHGWKZVXUCN-LERWJUDQSA-N
MW109.17 g/mol
LogP1.82
Rot. Bonds2

About N,3-dimethylpenta-2,4-dien-1-imine

N,3-dimethylpenta-2,4-dien-1-imine (PubChem CID 91152501) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is N,3-dimethylpenta-2,4-dien-1-imine.

Molecular Properties

Compound NameN,3-dimethylpenta-2,4-dien-1-imine
PubChem CID91152501
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC NameN,3-dimethylpenta-2,4-dien-1-imine
SMILESC=CC(C)=C/C=N/C
InChIInChI=1S/C7H11N/c1-4-7(2)5-6-8-3/h4-6H,1H2,2-3H3/b7-5?,8-6+
InChIKeyOTDAHGWKZVXUCN-LERWJUDQSA-N
XLogP1.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Aza-2,4,6-heptatriene
CID 59945193
Lithium 3-methylpyridin-2-ide
CID 16177570
(2E)-3-methyl-N-(3,3,3-trifluoropropyl)penta-2,4-dien-1-imine
CID 123834038
(2Z)-N-fluoro-3-methylpenta-2,4-dien-1-imine
CID 143887774
(2Z)-N,3-dimethylpenta-2,4-dienimidoyl fluoride
CID 155735311
(2E)-2-[(E)-2-fluoroethenyl]-N-methylpenta-2,4-dien-1-imine
CID 163583953
N,3-dimethylbut-2-en-1-imine
CID 557468
2-fluoro-4-methyl-2H-azepine
CID 143142141
N-ethyl-3-methylbut-2-en-1-imine
CID 14792736
N-methylhepta-2,4-dien-1-imine
CID 53832217
N-methylhepta-2,4,6-trien-1-imine
CID 54148857
N-methylprop-2-en-1-imine;penta-1,3-diene
CID 54302890

Frequently Asked Questions

What is the IUPAC name of N,3-dimethylpenta-2,4-dien-1-imine?
The IUPAC name of N,3-dimethylpenta-2,4-dien-1-imine (CID 91152501) is N,3-dimethylpenta-2,4-dien-1-imine.
What is the SMILES notation for N,3-dimethylpenta-2,4-dien-1-imine?
The canonical SMILES for N,3-dimethylpenta-2,4-dien-1-imine is C=CC(C)=C/C=N/C.
What is the InChIKey of N,3-dimethylpenta-2,4-dien-1-imine?
The InChIKey is OTDAHGWKZVXUCN-LERWJUDQSA-N. The full InChI is InChI=1S/C7H11N/c1-4-7(2)5-6-8-3/h4-6H,1H2,2-3H3/b7-5?,8-6+.
What are the key properties of N,3-dimethylpenta-2,4-dien-1-imine?
N,3-dimethylpenta-2,4-dien-1-imine has a molecular weight of 109.17 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethylpenta-2,4-dien-1-imine is sourced from PubChem (CID 91152501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).