4,5,6-trimethylcyclohex-2-en-1-imine

C9H15N — CID 90968842

IUPAC4,5,6-trimethylcyclohex-2-en-1-imine
SMILES[H]/N=C1\C=CC(C)C(C)C1C
InChIInChI=1S/C9H15N/c1-6-4-5-9(10)8(3)7(6)2/h4-8,10H,1-3H3/b10-9+
InChIKeyYIPWDDJAZGGCGO-MDZDMXLPSA-N
MW137.23 g/mol
LogP2.48
Rot. Bonds

About 4,5,6-trimethylcyclohex-2-en-1-imine

4,5,6-trimethylcyclohex-2-en-1-imine (PubChem CID 90968842) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 4,5,6-trimethylcyclohex-2-en-1-imine.

Molecular Properties

Compound Name4,5,6-trimethylcyclohex-2-en-1-imine
PubChem CID90968842
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name4,5,6-trimethylcyclohex-2-en-1-imine
SMILES[H]/N=C1\C=CC(C)C(C)C1C
InChIInChI=1S/C9H15N/c1-6-4-5-9(10)8(3)7(6)2/h4-8,10H,1-3H3/b10-9+
InChIKeyYIPWDDJAZGGCGO-MDZDMXLPSA-N
XLogP2.48
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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
(E)-(6-fluoro-4,5-dimethylcyclohex-2-en-1-ylidene)hydrazine
CID 91522104
6-Methyl-5-(trifluoromethyl)cyclohex-2-en-1-imine
CID 123479377
1-(4-Fluorocyclohexa-2,4-dien-1-yl)butan-1-imine
CID 143588132
1-Cyclohexyl-imino-2-butene
CID 129765474
1-Ethyl-4-imino-2,5-cyclohexadiene
CID 129808996
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
6,6-Di(propan-2-yl)cyclohexa-2,4-dien-1-imine
CID 57034986
2-Ethyl-4-methylcyclohex-2-en-1-imine
CID 57087859

Frequently Asked Questions

What is the IUPAC name of 4,5,6-trimethylcyclohex-2-en-1-imine?
The IUPAC name of 4,5,6-trimethylcyclohex-2-en-1-imine (CID 90968842) is 4,5,6-trimethylcyclohex-2-en-1-imine.
What is the SMILES notation for 4,5,6-trimethylcyclohex-2-en-1-imine?
The canonical SMILES for 4,5,6-trimethylcyclohex-2-en-1-imine is [H]/N=C1\C=CC(C)C(C)C1C.
What is the InChIKey of 4,5,6-trimethylcyclohex-2-en-1-imine?
The InChIKey is YIPWDDJAZGGCGO-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H15N/c1-6-4-5-9(10)8(3)7(6)2/h4-8,10H,1-3H3/b10-9+.
What are the key properties of 4,5,6-trimethylcyclohex-2-en-1-imine?
4,5,6-trimethylcyclohex-2-en-1-imine has a molecular weight of 137.23 g/mol, XLogP of 2.48, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6-trimethylcyclohex-2-en-1-imine is sourced from PubChem (CID 90968842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).