2-N-methyl-3-methylidenehept-4-ene-1,2-diimine

C9H14N2 — CID 123728805

IUPAC2-N-methyl-3-methylidenehept-4-ene-1,2-diimine
SMILES[H]/N=C/C(=N\C)C(=C)C=CCC
InChIInChI=1S/C9H14N2/c1-4-5-6-8(2)9(7-10)11-3/h5-7,10H,2,4H2,1,3H3/b6-5?,10-7+,11-9+
InChIKeyIIWWNYJPHVTNMT-IKKWGNITSA-N
MW150.22 g/mol
LogP2.23
Rot. Bonds4

About 2-N-methyl-3-methylidenehept-4-ene-1,2-diimine

2-N-methyl-3-methylidenehept-4-ene-1,2-diimine (PubChem CID 123728805) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 2-N-methyl-3-methylidenehept-4-ene-1,2-diimine.

Molecular Properties

Compound Name2-N-methyl-3-methylidenehept-4-ene-1,2-diimine
PubChem CID123728805
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name2-N-methyl-3-methylidenehept-4-ene-1,2-diimine
SMILES[H]/N=C/C(=N\C)C(=C)C=CCC
InChIInChI=1S/C9H14N2/c1-4-5-6-8(2)9(7-10)11-3/h5-7,10H,2,4H2,1,3H3/b6-5?,10-7+,11-9+
InChIKeyIIWWNYJPHVTNMT-IKKWGNITSA-N
XLogP2.23
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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4-Ethyl-5-fluoroocta-4,6-diene-1,3-diimine
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CID 143763245
4-Methanimidoylcyclohexa-2,4-dien-1-imine
CID 22338342
3(2H)-Quinolinimine
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1-N,2-N,4-trimethylcyclohexa-3,5-diene-1,2-diimine
CID 53921814
(4Z)-4-ethylidene-N-methylpyridin-3-imine
CID 68179746
1-[(6-Methylidenecyclohexa-2,4-dien-1-ylidene)amino]ethanamine
CID 68342709
7-Methylindol-6-imine
CID 69466877
(6Z)-6-[(2-methylpropylideneamino)methylidene]cyclohexa-2,4-dien-1-imine
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2H-1,3-Benzodiazepine
CID 71346896
(5Z)-5-[(Z)-4-methylpent-2-enylidene]pyridazin-4-imine
CID 87310176

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-3-methylidenehept-4-ene-1,2-diimine?
The IUPAC name of 2-N-methyl-3-methylidenehept-4-ene-1,2-diimine (CID 123728805) is 2-N-methyl-3-methylidenehept-4-ene-1,2-diimine.
What is the SMILES notation for 2-N-methyl-3-methylidenehept-4-ene-1,2-diimine?
The canonical SMILES for 2-N-methyl-3-methylidenehept-4-ene-1,2-diimine is [H]/N=C/C(=N\C)C(=C)C=CCC.
What is the InChIKey of 2-N-methyl-3-methylidenehept-4-ene-1,2-diimine?
The InChIKey is IIWWNYJPHVTNMT-IKKWGNITSA-N. The full InChI is InChI=1S/C9H14N2/c1-4-5-6-8(2)9(7-10)11-3/h5-7,10H,2,4H2,1,3H3/b6-5?,10-7+,11-9+.
What are the key properties of 2-N-methyl-3-methylidenehept-4-ene-1,2-diimine?
2-N-methyl-3-methylidenehept-4-ene-1,2-diimine has a molecular weight of 150.22 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-3-methylidenehept-4-ene-1,2-diimine is sourced from PubChem (CID 123728805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).