(Z)-2-N-methylhex-4-ene-2,3-diimine

C7H12N2 — CID 123515197

IUPAC(Z)-2-N-methylhex-4-ene-2,3-diimine
SMILES[H]/N=C(/C=C\C)C(\C)=N\C
InChIInChI=1S/C7H12N2/c1-4-5-7(8)6(2)9-3/h4-5,8H,1-3H3/b5-4-,8-7-,9-6+
InChIKeyOUNNGLNKIKJPLY-NICTZNNLSA-N
MW124.19 g/mol
LogP1.67
Rot. Bonds2

About (Z)-2-N-methylhex-4-ene-2,3-diimine

(Z)-2-N-methylhex-4-ene-2,3-diimine (PubChem CID 123515197) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is (Z)-2-N-methylhex-4-ene-2,3-diimine.

Molecular Properties

Compound Name(Z)-2-N-methylhex-4-ene-2,3-diimine
PubChem CID123515197
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name(Z)-2-N-methylhex-4-ene-2,3-diimine
SMILES[H]/N=C(/C=C\C)C(\C)=N\C
InChIInChI=1S/C7H12N2/c1-4-5-7(8)6(2)9-3/h4-5,8H,1-3H3/b5-4-,8-7-,9-6+
InChIKeyOUNNGLNKIKJPLY-NICTZNNLSA-N
XLogP1.67
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6-Ethyl-2,3-dihydropyridine
CID 58693567
(Z)-6-fluoro-N-methylhex-4-en-3-imine
CID 123508641
4-fluoro-2-N-methylcyclohexa-3,5-diene-1,2-diimine
CID 144276613
4-fluoro-1-N-methylcyclohexa-3,5-diene-1,2-diimine
CID 144636023
Cyclohex-2-en-1-ylidene(methyl)azanium
CID 135031019
N-methylcyclohexa-2,4-dien-1-imine
CID 14398595
N-methylpent-3-en-2-imine
CID 15325554
(Z)-hex-4-en-2-imine
CID 15841664
1-N,2-N-dimethylcyclohexa-3,5-diene-1,2-diimine
CID 18724211
(E)-hept-2-en-4-imine
CID 20315733
4-N-methylcyclohex-2-ene-1,4-diimine
CID 20673085
N-methylcyclohex-2-en-1-imine
CID 20718417

Frequently Asked Questions

What is the IUPAC name of (Z)-2-N-methylhex-4-ene-2,3-diimine?
The IUPAC name of (Z)-2-N-methylhex-4-ene-2,3-diimine (CID 123515197) is (Z)-2-N-methylhex-4-ene-2,3-diimine.
What is the SMILES notation for (Z)-2-N-methylhex-4-ene-2,3-diimine?
The canonical SMILES for (Z)-2-N-methylhex-4-ene-2,3-diimine is [H]/N=C(/C=C\C)C(\C)=N\C.
What is the InChIKey of (Z)-2-N-methylhex-4-ene-2,3-diimine?
The InChIKey is OUNNGLNKIKJPLY-NICTZNNLSA-N. The full InChI is InChI=1S/C7H12N2/c1-4-5-7(8)6(2)9-3/h4-5,8H,1-3H3/b5-4-,8-7-,9-6+.
What are the key properties of (Z)-2-N-methylhex-4-ene-2,3-diimine?
(Z)-2-N-methylhex-4-ene-2,3-diimine has a molecular weight of 124.19 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-N-methylhex-4-ene-2,3-diimine is sourced from PubChem (CID 123515197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).