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

C8H14N2 — CID 144892244

IUPAC(Z)-3-N-methylhept-4-ene-2,3-diimine
SMILES[H]/N=C(C)/C(/C=C\CC)=N\C
InChIInChI=1S/C8H14N2/c1-4-5-6-8(10-3)7(2)9/h5-6,9H,4H2,1-3H3/b6-5-,9-7+,10-8-
InChIKeyXOIQREQJQWCQLC-PQIPLARDSA-N
MW138.21 g/mol
LogP2.06
Rot. Bonds3

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

(Z)-3-N-methylhept-4-ene-2,3-diimine (PubChem CID 144892244) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is (Z)-3-N-methylhept-4-ene-2,3-diimine.

Molecular Properties

Compound Name(Z)-3-N-methylhept-4-ene-2,3-diimine
PubChem CID144892244
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name(Z)-3-N-methylhept-4-ene-2,3-diimine
SMILES[H]/N=C(C)/C(/C=C\CC)=N\C
InChIInChI=1S/C8H14N2/c1-4-5-6-8(10-3)7(2)9/h5-6,9H,4H2,1-3H3/b6-5-,9-7+,10-8-
InChIKeyXOIQREQJQWCQLC-PQIPLARDSA-N
XLogP2.06
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.06
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
7-fluoro-2-[(E)-prop-1-enyl]-2,6-dihydroazepin-5-imine
CID 123675010
(Z)-2-ethylimino-5-fluorohex-3-en-1-amine
CID 143075712
1-N,2-N-dimethylcyclohexa-3,5-diene-1,2-diimine
CID 18724211
4-N-methylcyclohex-2-ene-1,4-diimine
CID 20673085
1-N,2-N-dimethylcyclohexa-3,5-diene-1,2-diimine;ethane
CID 53727885
4-Imino-N,N-dimethylcyclohexa-2,5-dien-1-iminium
CID 54531807
N-methylcyclopent-2-en-1-imine
CID 58544010
2-N-methylcyclohexa-3,5-diene-1,2-diimine
CID 59789006
(E)-hex-4-en-3-imine
CID 60088695
4-N-methylcyclohexa-2,5-diene-1,4-diimine
CID 70148626

Frequently Asked Questions

What is the IUPAC name of (Z)-3-N-methylhept-4-ene-2,3-diimine?
The IUPAC name of (Z)-3-N-methylhept-4-ene-2,3-diimine (CID 144892244) is (Z)-3-N-methylhept-4-ene-2,3-diimine.
What is the SMILES notation for (Z)-3-N-methylhept-4-ene-2,3-diimine?
The canonical SMILES for (Z)-3-N-methylhept-4-ene-2,3-diimine is [H]/N=C(C)/C(/C=C\CC)=N\C.
What is the InChIKey of (Z)-3-N-methylhept-4-ene-2,3-diimine?
The InChIKey is XOIQREQJQWCQLC-PQIPLARDSA-N. The full InChI is InChI=1S/C8H14N2/c1-4-5-6-8(10-3)7(2)9/h5-6,9H,4H2,1-3H3/b6-5-,9-7+,10-8-.
What are the key properties of (Z)-3-N-methylhept-4-ene-2,3-diimine?
(Z)-3-N-methylhept-4-ene-2,3-diimine has a molecular weight of 138.21 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-N-methylhept-4-ene-2,3-diimine is sourced from PubChem (CID 144892244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).