N-ethenyl-5-methylhexa-2,4-dien-1-imine

C9H13N — CID 91120080

IUPACN-ethenyl-5-methylhexa-2,4-dien-1-imine
SMILESC=C/N=C/C=CC=C(C)C
InChIInChI=1S/C9H13N/c1-4-10-8-6-5-7-9(2)3/h4-8H,1H2,2-3H3/b6-5?,10-8+
InChIKeyAUVFAWXAJFJRRD-MXHPCRDXSA-N
MW135.21 g/mol
LogP2.72
Rot. Bonds3

About N-ethenyl-5-methylhexa-2,4-dien-1-imine

N-ethenyl-5-methylhexa-2,4-dien-1-imine (PubChem CID 91120080) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is N-ethenyl-5-methylhexa-2,4-dien-1-imine.

Molecular Properties

Compound NameN-ethenyl-5-methylhexa-2,4-dien-1-imine
PubChem CID91120080
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC NameN-ethenyl-5-methylhexa-2,4-dien-1-imine
SMILESC=C/N=C/C=CC=C(C)C
InChIInChI=1S/C9H13N/c1-4-10-8-6-5-7-9(2)3/h4-8H,1H2,2-3H3/b6-5?,10-8+
InChIKeyAUVFAWXAJFJRRD-MXHPCRDXSA-N
XLogP2.72
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.72
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

(4E)-2,7-dimethylocta-2,4,6-triene
CID 11116127
ethane;(2Z)-N-ethenylpenta-2,4-dien-1-imine
CID 142114329
(2E,4E)-N-ethenylhepta-2,4,6-trien-1-imine
CID 163564879
(1E,3Z)-5-ethenyliminopenta-1,3-dien-1-amine
CID 88887838
(E)-N-ethenyl-3,4,4-trimethylpent-2-en-1-imine
CID 166788364
(Z)-N-ethenyl-N'-ethylideneprop-2-ene-1,3-diimine
CID 126660383
2,6-dimethylhepta-2,4-diene;2,7-dimethylocta-2,4,6-triene
CID 162298747
(Z)-N-ethenyl-7-methyloct-2-en-1-imine
CID 170379878
2,6-dimethylhepta-2,4-diene;2,7-dimethylocta-2,4,6-triene;methane
CID 162272245
2-methyldeca-2,4,6,8-tetraene
CID 123313204
2-methyltetradeca-2,4,6,8,10,12-hexaene
CID 72567686
ethane;ethene;N-ethenylprop-2-en-1-imine
CID 145208086

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-5-methylhexa-2,4-dien-1-imine?
The IUPAC name of N-ethenyl-5-methylhexa-2,4-dien-1-imine (CID 91120080) is N-ethenyl-5-methylhexa-2,4-dien-1-imine.
What is the SMILES notation for N-ethenyl-5-methylhexa-2,4-dien-1-imine?
The canonical SMILES for N-ethenyl-5-methylhexa-2,4-dien-1-imine is C=C/N=C/C=CC=C(C)C.
What is the InChIKey of N-ethenyl-5-methylhexa-2,4-dien-1-imine?
The InChIKey is AUVFAWXAJFJRRD-MXHPCRDXSA-N. The full InChI is InChI=1S/C9H13N/c1-4-10-8-6-5-7-9(2)3/h4-8H,1H2,2-3H3/b6-5?,10-8+.
What are the key properties of N-ethenyl-5-methylhexa-2,4-dien-1-imine?
N-ethenyl-5-methylhexa-2,4-dien-1-imine has a molecular weight of 135.21 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-5-methylhexa-2,4-dien-1-imine is sourced from PubChem (CID 91120080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).