4-(3-ethyl-2-methylpentan-2-yl)-N-methylcyclohex-2-en-1-imine

C15H27N — CID 123457246

IUPAC4-(3-ethyl-2-methylpentan-2-yl)-N-methylcyclohex-2-en-1-imine
SMILESCCC(CC)C(C)(C)C1C=C/C(=N/C)CC1
InChIInChI=1S/C15H27N/c1-6-12(7-2)15(3,4)13-8-10-14(16-5)11-9-13/h8,10,12-13H,6-7,9,11H2,1-5H3/b16-14-
InChIKeyWAPHKKWAWQYMHB-PEZBUJJGSA-N
MW221.39 g/mol
LogP4.49
Rot. Bonds4

About 4-(3-ethyl-2-methylpentan-2-yl)-N-methylcyclohex-2-en-1-imine

4-(3-ethyl-2-methylpentan-2-yl)-N-methylcyclohex-2-en-1-imine (PubChem CID 123457246) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is 4-(3-ethyl-2-methylpentan-2-yl)-N-methylcyclohex-2-en-1-imine.

Molecular Properties

Compound Name4-(3-ethyl-2-methylpentan-2-yl)-N-methylcyclohex-2-en-1-imine
PubChem CID123457246
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name4-(3-ethyl-2-methylpentan-2-yl)-N-methylcyclohex-2-en-1-imine
SMILESCCC(CC)C(C)(C)C1C=C/C(=N/C)CC1
InChIInChI=1S/C15H27N/c1-6-12(7-2)15(3,4)13-8-10-14(16-5)11-9-13/h8,10,12-13H,6-7,9,11H2,1-5H3/b16-14-
InChIKeyWAPHKKWAWQYMHB-PEZBUJJGSA-N
XLogP4.49
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 54.49
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

(6Z)-6-ethylidene-4-fluoro-5-heptan-3-yl-N-methylcyclohex-2-en-1-imine
CID 123416100
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
N,2,5,5-tetramethylcyclohex-2-en-1-imine
CID 86038796
(Z)-6-ethyl-7-(fluoromethyl)-N-methylundec-8-en-5-imine
CID 143491208
4-[(1S)-1,4-dimethylcyclopent-2-en-1-yl]-2,2-difluoro-N-methylhexan-3-imine
CID 144526431
6-(3,4-Dimethyl-3-propan-2-ylpent-4-enyl)-5-(trifluoromethyl)-2,3-dihydropyridine
CID 153339001
(1Z)-3,5,5-Trimethyl-N-(prop-2-en-1-yl)cyclohex-2-en-1-imine
CID 238062
6,6-dimethyl-3,4,4a,5-tetrahydro-2H-quinoline
CID 13272643
N-methyl-3,4-di(propan-2-yl)cyclohex-2-en-1-imine
CID 20631046
6-tert-butyl-5-[(E)-prop-1-enyl]-2,3,4,5-tetrahydropyridine
CID 20752812
(5E,9E)-2-[2-(1-propylcyclohexyl)ethyl]-1-azacyclododeca-1,5,9-triene
CID 22816624

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-2-methylpentan-2-yl)-N-methylcyclohex-2-en-1-imine?
The IUPAC name of 4-(3-ethyl-2-methylpentan-2-yl)-N-methylcyclohex-2-en-1-imine (CID 123457246) is 4-(3-ethyl-2-methylpentan-2-yl)-N-methylcyclohex-2-en-1-imine.
What is the SMILES notation for 4-(3-ethyl-2-methylpentan-2-yl)-N-methylcyclohex-2-en-1-imine?
The canonical SMILES for 4-(3-ethyl-2-methylpentan-2-yl)-N-methylcyclohex-2-en-1-imine is CCC(CC)C(C)(C)C1C=C/C(=N/C)CC1.
What is the InChIKey of 4-(3-ethyl-2-methylpentan-2-yl)-N-methylcyclohex-2-en-1-imine?
The InChIKey is WAPHKKWAWQYMHB-PEZBUJJGSA-N. The full InChI is InChI=1S/C15H27N/c1-6-12(7-2)15(3,4)13-8-10-14(16-5)11-9-13/h8,10,12-13H,6-7,9,11H2,1-5H3/b16-14-.
What are the key properties of 4-(3-ethyl-2-methylpentan-2-yl)-N-methylcyclohex-2-en-1-imine?
4-(3-ethyl-2-methylpentan-2-yl)-N-methylcyclohex-2-en-1-imine has a molecular weight of 221.39 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-2-methylpentan-2-yl)-N-methylcyclohex-2-en-1-imine is sourced from PubChem (CID 123457246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).