3-N,5-dimethylcyclohept-4-ene-1,3-diimine

C9H14N2 — CID 123906403

IUPAC3-N,5-dimethylcyclohept-4-ene-1,3-diimine
SMILES[H]/N=C1\CCC(C)=C/C(=N/C)C1
InChIInChI=1S/C9H14N2/c1-7-3-4-8(10)6-9(5-7)11-2/h5,10H,3-4,6H2,1-2H3/b10-8+,11-9-
InChIKeyHFCSALMFYDVCEM-GOOGBFEESA-N
MW150.22 g/mol
LogP2.21
Rot. Bonds

About 3-N,5-dimethylcyclohept-4-ene-1,3-diimine

3-N,5-dimethylcyclohept-4-ene-1,3-diimine (PubChem CID 123906403) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 3-N,5-dimethylcyclohept-4-ene-1,3-diimine.

Molecular Properties

Compound Name3-N,5-dimethylcyclohept-4-ene-1,3-diimine
PubChem CID123906403
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name3-N,5-dimethylcyclohept-4-ene-1,3-diimine
SMILES[H]/N=C1\CCC(C)=C/C(=N/C)C1
InChIInChI=1S/C9H14N2/c1-7-3-4-8(10)6-9(5-7)11-2/h5,10H,3-4,6H2,1-2H3/b10-8+,11-9-
InChIKeyHFCSALMFYDVCEM-GOOGBFEESA-N
XLogP2.21
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(6R)-6-fluoro-5-methylidenecyclohexen-1-yl]-N-methylethanimine
CID 170395095
2-Hexylcyclohexa-2,5-diene-1,4-diimine
CID 70145261
2-N,3,6-trimethylcyclohexa-3,5-diene-1,2-diimine
CID 89181403
3-ethyl-2-N-methylcyclohexa-3,5-diene-1,2-diimine
CID 89231732
6-cyclohept-4-en-1-ylidene-N-methylcyclohex-3-en-1-imine
CID 90732822
N,3-dimethylcyclohex-2-en-1-imine
CID 90782444
(Z,4Z)-N,3-dimethyl-4-propylidenenon-2-en-5-imine
CID 90837045
(E)-N,3-dimethyloct-2-en-4-imine
CID 91148159
2-Propylcyclopent-2-en-1-imine
CID 91165692
2-Ethylcyclohex-2-en-1-imine
CID 91368159
7-ethyl-6-propyl-3,4-dihydro-2H-azepine
CID 123220323
(3Z)-9-methyl-2-N-(4-methyldeca-2,3,8-trienyl)nonadeca-3,9,18-triene-2,14-diimine
CID 123267723

Frequently Asked Questions

What is the IUPAC name of 3-N,5-dimethylcyclohept-4-ene-1,3-diimine?
The IUPAC name of 3-N,5-dimethylcyclohept-4-ene-1,3-diimine (CID 123906403) is 3-N,5-dimethylcyclohept-4-ene-1,3-diimine.
What is the SMILES notation for 3-N,5-dimethylcyclohept-4-ene-1,3-diimine?
The canonical SMILES for 3-N,5-dimethylcyclohept-4-ene-1,3-diimine is [H]/N=C1\CCC(C)=C/C(=N/C)C1.
What is the InChIKey of 3-N,5-dimethylcyclohept-4-ene-1,3-diimine?
The InChIKey is HFCSALMFYDVCEM-GOOGBFEESA-N. The full InChI is InChI=1S/C9H14N2/c1-7-3-4-8(10)6-9(5-7)11-2/h5,10H,3-4,6H2,1-2H3/b10-8+,11-9-.
What are the key properties of 3-N,5-dimethylcyclohept-4-ene-1,3-diimine?
3-N,5-dimethylcyclohept-4-ene-1,3-diimine has a molecular weight of 150.22 g/mol, XLogP of 2.21, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,5-dimethylcyclohept-4-ene-1,3-diimine is sourced from PubChem (CID 123906403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).