N,3-dimethylcyclohex-2-en-1-imine

C8H13N — CID 90782444

IUPACN,3-dimethylcyclohex-2-en-1-imine
SMILESC/N=C1/C=C(C)CCC1
InChIInChI=1S/C8H13N/c1-7-4-3-5-8(6-7)9-2/h6H,3-5H2,1-2H3/b9-8+
InChIKeyAFSASANNOYBAAR-CMDGGOBGSA-N
MW123.20 g/mol
LogP2.19
Rot. Bonds

About N,3-dimethylcyclohex-2-en-1-imine

N,3-dimethylcyclohex-2-en-1-imine (PubChem CID 90782444) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is N,3-dimethylcyclohex-2-en-1-imine.

Molecular Properties

Compound NameN,3-dimethylcyclohex-2-en-1-imine
PubChem CID90782444
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC NameN,3-dimethylcyclohex-2-en-1-imine
SMILESC/N=C1/C=C(C)CCC1
InChIInChI=1S/C8H13N/c1-7-4-3-5-8(6-7)9-2/h6H,3-5H2,1-2H3/b9-8+
InChIKeyAFSASANNOYBAAR-CMDGGOBGSA-N
XLogP2.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.19
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

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CID 53628232
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3,4-difluoro-N,2-dimethylcyclohex-2-en-1-imine
CID 123476549
5-fluoro-N,2-dimethylcyclohex-2-en-1-imine
CID 123676418
1-(2-fluorocyclohexa-1,3-dien-1-yl)-N-methylethanimine
CID 146585989
1-[(6R)-6-fluoro-5-methylidenecyclohexen-1-yl]-N-methylethanimine
CID 170395095
Ethyl-(3,5,5-trimethyl-cyclohex-2-enylidene)-amine
CID 11205971
N,3,5,5-tetramethylcyclohex-2-en-1-imine
CID 70518167
N,2,5,5-tetramethylcyclohex-2-en-1-imine
CID 86038796
5-Methyl-4-pentyl-2h-pyrrole
CID 134817822
6-[(E)-but-2-en-2-yl]-2,3,4,5-tetrahydropyridine
CID 135038641
2-fluoro-N,5-dimethylhex-4-en-3-imine
CID 172586095

Frequently Asked Questions

What is the IUPAC name of N,3-dimethylcyclohex-2-en-1-imine?
The IUPAC name of N,3-dimethylcyclohex-2-en-1-imine (CID 90782444) is N,3-dimethylcyclohex-2-en-1-imine.
What is the SMILES notation for N,3-dimethylcyclohex-2-en-1-imine?
The canonical SMILES for N,3-dimethylcyclohex-2-en-1-imine is C/N=C1/C=C(C)CCC1.
What is the InChIKey of N,3-dimethylcyclohex-2-en-1-imine?
The InChIKey is AFSASANNOYBAAR-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H13N/c1-7-4-3-5-8(6-7)9-2/h6H,3-5H2,1-2H3/b9-8+.
What are the key properties of N,3-dimethylcyclohex-2-en-1-imine?
N,3-dimethylcyclohex-2-en-1-imine has a molecular weight of 123.20 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethylcyclohex-2-en-1-imine is sourced from PubChem (CID 90782444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).