(Z)-N-ethenyl-4-methylpent-2-en-1-imine

C8H13N — CID 142949319

IUPAC(Z)-N-ethenyl-4-methylpent-2-en-1-imine
SMILESC=C/N=C/C=C\C(C)C
InChIInChI=1S/C8H13N/c1-4-9-7-5-6-8(2)3/h4-8H,1H2,2-3H3/b6-5-,9-7+
InChIKeyBVCOKWFVTAUAAA-BZWSEGBZSA-N
MW123.20 g/mol
LogP2.41
Rot. Bonds3

About (Z)-N-ethenyl-4-methylpent-2-en-1-imine

(Z)-N-ethenyl-4-methylpent-2-en-1-imine (PubChem CID 142949319) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is (Z)-N-ethenyl-4-methylpent-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-ethenyl-4-methylpent-2-en-1-imine
PubChem CID142949319
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name(Z)-N-ethenyl-4-methylpent-2-en-1-imine
SMILESC=C/N=C/C=C\C(C)C
InChIInChI=1S/C8H13N/c1-4-9-7-5-6-8(2)3/h4-8H,1H2,2-3H3/b6-5-,9-7+
InChIKeyBVCOKWFVTAUAAA-BZWSEGBZSA-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

4H-azepine
CID 18339241
N-(2-fluoro-4-methylpent-2-en-3-yl)prop-2-en-1-imine
CID 91152307
(E)-N-ethenyl-3-fluorohex-3-en-1-imine
CID 143495541
2-fluoro-4-methyl-4H-azepine
CID 168934095
(Z,E)-N-[(E)-1-fluoroprop-1-enyl]pent-2-en-1-imine
CID 171558229
2-Fluoro-4,4-dimethylazepine
CID 177210027
4-Azanonatriene
CID 129782426
3-Methyl-3-(1-propenyl)pyrrole
CID 129786932
N-[(E)-3-methylbut-1-enyl]ethanimine
CID 14792735
(Z)-N-ethyl-3-methylpent-2-en-1-imine
CID 14919843
(2Z,6Z)-4,5-dihydroazocine
CID 18424410
3-Methyl-2,3-dihydropyridine
CID 21471736

Frequently Asked Questions

What is the IUPAC name of (Z)-N-ethenyl-4-methylpent-2-en-1-imine?
The IUPAC name of (Z)-N-ethenyl-4-methylpent-2-en-1-imine (CID 142949319) is (Z)-N-ethenyl-4-methylpent-2-en-1-imine.
What is the SMILES notation for (Z)-N-ethenyl-4-methylpent-2-en-1-imine?
The canonical SMILES for (Z)-N-ethenyl-4-methylpent-2-en-1-imine is C=C/N=C/C=C\C(C)C.
What is the InChIKey of (Z)-N-ethenyl-4-methylpent-2-en-1-imine?
The InChIKey is BVCOKWFVTAUAAA-BZWSEGBZSA-N. The full InChI is InChI=1S/C8H13N/c1-4-9-7-5-6-8(2)3/h4-8H,1H2,2-3H3/b6-5-,9-7+.
What are the key properties of (Z)-N-ethenyl-4-methylpent-2-en-1-imine?
(Z)-N-ethenyl-4-methylpent-2-en-1-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 (Z)-N-ethenyl-4-methylpent-2-en-1-imine is sourced from PubChem (CID 142949319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).