N-ethyl-5-methylcyclohex-2-en-1-imine

C9H15N — CID 123916933

IUPACN-ethyl-5-methylcyclohex-2-en-1-imine
SMILESCC/N=C1\C=CCC(C)C1
InChIInChI=1S/C9H15N/c1-3-10-9-6-4-5-8(2)7-9/h4,6,8H,3,5,7H2,1-2H3/b10-9+
InChIKeyHMTVUYBYJOPRCE-MDZDMXLPSA-N
MW137.23 g/mol
LogP2.43
Rot. Bonds1

About N-ethyl-5-methylcyclohex-2-en-1-imine

N-ethyl-5-methylcyclohex-2-en-1-imine (PubChem CID 123916933) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is N-ethyl-5-methylcyclohex-2-en-1-imine.

Molecular Properties

Compound NameN-ethyl-5-methylcyclohex-2-en-1-imine
PubChem CID123916933
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC NameN-ethyl-5-methylcyclohex-2-en-1-imine
SMILESCC/N=C1\C=CCC(C)C1
InChIInChI=1S/C9H15N/c1-3-10-9-6-4-5-8(2)7-9/h4,6,8H,3,5,7H2,1-2H3/b10-9+
InChIKeyHMTVUYBYJOPRCE-MDZDMXLPSA-N
XLogP2.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
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

2,3,4,4a,5,6-Hexahydroquinoline
CID 11062444
2,3-Diethyl-2,3-dihydropyridine
CID 53814937
6-fluoro-N,4-dimethylcyclohex-2-en-1-imine
CID 123297893
2-Ethyl-6-fluoro-4a,5,8,8a-tetrahydroquinoline
CID 130413096
(Z)-N-ethyl-7-methyl-6-(trifluoromethyl)oct-2-en-4-imine
CID 166470434
(5S)-N-ethyl-7-fluoro-5,6-dimethylcyclohept-2-en-1-imine
CID 173683200
Ethyl-(3,5,5-trimethyl-cyclohex-2-enylidene)-amine
CID 11205971
3,5,5-trimethyl-N-(2-methylpropyl)cyclohex-2-en-1-imine
CID 70516911
3,4,4a,5-tetrahydro-2H-cyclopenta[b]pyridine
CID 164669517
6-[(2S)-butan-2-yl]-3-fluoro-2,3-dihydropyridine
CID 144060408
3-Fluoro-6-propan-2-yl-2,3-dihydropyridine
CID 144060413
(1Z)-3,5,5-Trimethyl-N-(prop-2-en-1-yl)cyclohex-2-en-1-imine
CID 238062

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methylcyclohex-2-en-1-imine?
The IUPAC name of N-ethyl-5-methylcyclohex-2-en-1-imine (CID 123916933) is N-ethyl-5-methylcyclohex-2-en-1-imine.
What is the SMILES notation for N-ethyl-5-methylcyclohex-2-en-1-imine?
The canonical SMILES for N-ethyl-5-methylcyclohex-2-en-1-imine is CC/N=C1\C=CCC(C)C1.
What is the InChIKey of N-ethyl-5-methylcyclohex-2-en-1-imine?
The InChIKey is HMTVUYBYJOPRCE-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H15N/c1-3-10-9-6-4-5-8(2)7-9/h4,6,8H,3,5,7H2,1-2H3/b10-9+.
What are the key properties of N-ethyl-5-methylcyclohex-2-en-1-imine?
N-ethyl-5-methylcyclohex-2-en-1-imine has a molecular weight of 137.23 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methylcyclohex-2-en-1-imine is sourced from PubChem (CID 123916933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).