N-ethenyl-4-methylpent-1-en-3-imine

C8H13N — CID 143591102

IUPACN-ethenyl-4-methylpent-1-en-3-imine
SMILESC=C/N=C(\C=C)C(C)C
InChIInChI=1S/C8H13N/c1-5-8(7(3)4)9-6-2/h5-7H,1-2H2,3-4H3/b9-8+
InChIKeyYMYGYZKHMBPVSG-CMDGGOBGSA-N
MW123.20 g/mol
LogP2.41
Rot. Bonds3

About N-ethenyl-4-methylpent-1-en-3-imine

N-ethenyl-4-methylpent-1-en-3-imine (PubChem CID 143591102) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is N-ethenyl-4-methylpent-1-en-3-imine.

Molecular Properties

Compound NameN-ethenyl-4-methylpent-1-en-3-imine
PubChem CID143591102
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC NameN-ethenyl-4-methylpent-1-en-3-imine
SMILESC=C/N=C(\C=C)C(C)C
InChIInChI=1S/C8H13N/c1-5-8(7(3)4)9-6-2/h5-7H,1-2H2,3-4H3/b9-8+
InChIKeyYMYGYZKHMBPVSG-CMDGGOBGSA-N
XLogP2.41
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

t-Butylazacyclobutadiene
CID 129772353
(Z)-N-(1-fluoroethenyl)-4-methylpent-1-en-3-imine
CID 142378559
N-[(E)-2,3-dimethylbut-1-enyl]-4-fluoro-4-methylpent-1-en-3-imine
CID 170144613
N-ethenyl-2-fluoro-4-methylpent-1-en-3-imine
CID 171497204
2-Propan-2-yl-3,4-dihydropyridine
CID 14979254
2,3-dimethyl-3H-pyrrole
CID 17769177
2,3,3-Trimethylpyrrole
CID 20643067
2-propan-2-yl-3H-pyrrole
CID 23563334
1,2,3-trimethyl-3H-pyrrol-1-ium
CID 54246966
3-methyl-2-propan-2-yl-3H-pyrrole
CID 58564369
N-[(Z)-3,3-dimethylbut-1-enyl]-3,3-dimethylbutan-2-imine
CID 59179945
2-(2-methylpropyl)-3H-pyrrole
CID 59447839

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-4-methylpent-1-en-3-imine?
The IUPAC name of N-ethenyl-4-methylpent-1-en-3-imine (CID 143591102) is N-ethenyl-4-methylpent-1-en-3-imine.
What is the SMILES notation for N-ethenyl-4-methylpent-1-en-3-imine?
The canonical SMILES for N-ethenyl-4-methylpent-1-en-3-imine is C=C/N=C(\C=C)C(C)C.
What is the InChIKey of N-ethenyl-4-methylpent-1-en-3-imine?
The InChIKey is YMYGYZKHMBPVSG-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H13N/c1-5-8(7(3)4)9-6-2/h5-7H,1-2H2,3-4H3/b9-8+.
What are the key properties of N-ethenyl-4-methylpent-1-en-3-imine?
N-ethenyl-4-methylpent-1-en-3-imine has a molecular weight of 123.20 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-4-methylpent-1-en-3-imine is sourced from PubChem (CID 143591102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).