N,3,4-trimethylcyclohex-2-en-1-imine

C9H15N — CID 90861631

IUPACN,3,4-trimethylcyclohex-2-en-1-imine
SMILESC/N=C1/C=C(C)C(C)CC1
InChIInChI=1S/C9H15N/c1-7-4-5-9(10-3)6-8(7)2/h6-7H,4-5H2,1-3H3/b10-9+
InChIKeyOPQDGNOJLPECQV-MDZDMXLPSA-N
MW137.23 g/mol
LogP2.43
Rot. Bonds

About N,3,4-trimethylcyclohex-2-en-1-imine

N,3,4-trimethylcyclohex-2-en-1-imine (PubChem CID 90861631) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is N,3,4-trimethylcyclohex-2-en-1-imine.

Molecular Properties

Compound NameN,3,4-trimethylcyclohex-2-en-1-imine
PubChem CID90861631
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC NameN,3,4-trimethylcyclohex-2-en-1-imine
SMILESC/N=C1/C=C(C)C(C)CC1
InChIInChI=1S/C9H15N/c1-7-4-5-9(10-3)6-8(7)2/h6-7H,4-5H2,1-3H3/b10-9+
InChIKeyOPQDGNOJLPECQV-MDZDMXLPSA-N
XLogP2.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1E)-2-Methyl-5-(1-methylethenyl)-2-cyclohexen-1-one oxime
CID 5380452
2-Cyclohexen-1-one, 2-methyl-5-(1-methylethenyl)-, oxime
CID 97028
[S-(E)]-2-methyl-5-(1-methylvinyl)cyclohex-2-en-1-one oxime
CID 7166699
Carvone oxime
CID 5373978
(R)-(-)-2-Methyl-5-isopropenyl-2-cyclohexen-1-one oxime
CID 7166700
6-fluoro-N,4-dimethylcyclohex-2-en-1-imine
CID 123297893
5-fluoro-N,2-dimethylcyclohex-2-en-1-imine
CID 123676418
N-methyl-1-[4-(trifluoromethyl)cyclohexen-1-yl]ethanimine
CID 123865859
1-[(5S)-4-ethyl-5-fluorocyclohex-3-en-1-yl]-N-methylethanimine
CID 126545859
(5S,8R)-5-fluoro-8-methyl-2,3,5,6,7,8-hexahydroquinoline
CID 170294076
1-[(6R)-6-fluoro-5-methylidenecyclohexen-1-yl]-N-methylethanimine
CID 170395095
Ethyl-(3,5,5-trimethyl-cyclohex-2-enylidene)-amine
CID 11205971

Frequently Asked Questions

What is the IUPAC name of N,3,4-trimethylcyclohex-2-en-1-imine?
The IUPAC name of N,3,4-trimethylcyclohex-2-en-1-imine (CID 90861631) is N,3,4-trimethylcyclohex-2-en-1-imine.
What is the SMILES notation for N,3,4-trimethylcyclohex-2-en-1-imine?
The canonical SMILES for N,3,4-trimethylcyclohex-2-en-1-imine is C/N=C1/C=C(C)C(C)CC1.
What is the InChIKey of N,3,4-trimethylcyclohex-2-en-1-imine?
The InChIKey is OPQDGNOJLPECQV-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H15N/c1-7-4-5-9(10-3)6-8(7)2/h6-7H,4-5H2,1-3H3/b10-9+.
What are the key properties of N,3,4-trimethylcyclohex-2-en-1-imine?
N,3,4-trimethylcyclohex-2-en-1-imine has a molecular weight of 137.23 g/mol, XLogP of 2.43, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,4-trimethylcyclohex-2-en-1-imine is sourced from PubChem (CID 90861631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).