3-methyl-6-prop-1-enylcyclohex-3-ene-1,2-diimine

C10H14N2 — CID 157495827

IUPAC3-methyl-6-prop-1-enylcyclohex-3-ene-1,2-diimine
SMILES[H]/N=C1C(=N\[H])\C(C)=CCC\1C=CC
InChIInChI=1S/C10H14N2/c1-3-4-8-6-5-7(2)9(11)10(8)12/h3-5,8,11-12H,6H2,1-2H3/b4-3?,11-9+,12-10-
InChIKeyGYZRAHIBLSIXFC-DTFKRFICSA-N
MW162.24 g/mol
LogP2.57
Rot. Bonds1

About 3-methyl-6-prop-1-enylcyclohex-3-ene-1,2-diimine

3-methyl-6-prop-1-enylcyclohex-3-ene-1,2-diimine (PubChem CID 157495827) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 3-methyl-6-prop-1-enylcyclohex-3-ene-1,2-diimine.

Molecular Properties

Compound Name3-methyl-6-prop-1-enylcyclohex-3-ene-1,2-diimine
PubChem CID157495827
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name3-methyl-6-prop-1-enylcyclohex-3-ene-1,2-diimine
SMILES[H]/N=C1C(=N\[H])\C(C)=CCC\1C=CC
InChIInChI=1S/C10H14N2/c1-3-4-8-6-5-7(2)9(11)10(8)12/h3-5,8,11-12H,6H2,1-2H3/b4-3?,11-9+,12-10-
InChIKeyGYZRAHIBLSIXFC-DTFKRFICSA-N
XLogP2.57
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.57
H-Bond Donors ≤ 52
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-Ethyl-2-imino-3,5-cyclohexadiene
CID 85894878
6-Fluoro-4-methylcyclohex-2-en-1-imine
CID 91163671
5-Methyl-4-(trifluoromethyl)cyclohex-3-en-1-imine
CID 123793559
1-(4-Fluorocyclohexa-2,4-dien-1-yl)butan-1-imine
CID 143588132
1-Cyclohexyl-imino-2-butene
CID 129765474
Carvone hydrazone
CID 129821701
3,5,5-Trimethyl-2-cyclohexen-1-imine
CID 12562470
3,5-Dimethylcyclohex-2-en-1-imine
CID 12562472
2,6-Di(propan-2-yl)cyclohexa-2,4-dien-1-imine
CID 17962987
2,4,6-Trimethylcyclohexa-2,4-dien-1-imine
CID 18538402
2-Butyl-3,5-dimethylcyclohexa-2,5-diene-1,4-diimine
CID 18620279
(Z)-N-[(Z)-(3,5-dimethylcyclohex-2-en-1-ylidene)amino]-3,5-dimethylcyclohex-2-en-1-imine
CID 22824294

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-prop-1-enylcyclohex-3-ene-1,2-diimine?
The IUPAC name of 3-methyl-6-prop-1-enylcyclohex-3-ene-1,2-diimine (CID 157495827) is 3-methyl-6-prop-1-enylcyclohex-3-ene-1,2-diimine.
What is the SMILES notation for 3-methyl-6-prop-1-enylcyclohex-3-ene-1,2-diimine?
The canonical SMILES for 3-methyl-6-prop-1-enylcyclohex-3-ene-1,2-diimine is [H]/N=C1C(=N\[H])\C(C)=CCC\1C=CC.
What is the InChIKey of 3-methyl-6-prop-1-enylcyclohex-3-ene-1,2-diimine?
The InChIKey is GYZRAHIBLSIXFC-DTFKRFICSA-N. The full InChI is InChI=1S/C10H14N2/c1-3-4-8-6-5-7(2)9(11)10(8)12/h3-5,8,11-12H,6H2,1-2H3/b4-3?,11-9+,12-10-.
What are the key properties of 3-methyl-6-prop-1-enylcyclohex-3-ene-1,2-diimine?
3-methyl-6-prop-1-enylcyclohex-3-ene-1,2-diimine has a molecular weight of 162.24 g/mol, XLogP of 2.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-prop-1-enylcyclohex-3-ene-1,2-diimine is sourced from PubChem (CID 157495827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).