2-ethylidene-N-methyl-6-propan-2-ylcyclohexan-1-imine

C12H21N — CID 123724075

IUPAC2-ethylidene-N-methyl-6-propan-2-ylcyclohexan-1-imine
SMILESCC=C1CCCC(C(C)C)/C1=N/C
InChIInChI=1S/C12H21N/c1-5-10-7-6-8-11(9(2)3)12(10)13-4/h5,9,11H,6-8H2,1-4H3/b10-5?,13-12+
InChIKeyGMZLVQMARUZXFN-DPGDMTMFSA-N
MW179.31 g/mol
LogP3.46
Rot. Bonds1

About 2-ethylidene-N-methyl-6-propan-2-ylcyclohexan-1-imine

2-ethylidene-N-methyl-6-propan-2-ylcyclohexan-1-imine (PubChem CID 123724075) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 2-ethylidene-N-methyl-6-propan-2-ylcyclohexan-1-imine.

Molecular Properties

Compound Name2-ethylidene-N-methyl-6-propan-2-ylcyclohexan-1-imine
PubChem CID123724075
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name2-ethylidene-N-methyl-6-propan-2-ylcyclohexan-1-imine
SMILESCC=C1CCCC(C(C)C)/C1=N/C
InChIInChI=1S/C12H21N/c1-5-10-7-6-8-11(9(2)3)12(10)13-4/h5,9,11H,6-8H2,1-4H3/b10-5?,13-12+
InChIKeyGMZLVQMARUZXFN-DPGDMTMFSA-N
XLogP3.46
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.46
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
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
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
(7R)-7-methyl-2,3,4,6,7,8-hexahydroquinoline
CID 135034300
(Z)-6-ethyl-7-(fluoromethyl)-N-methylundec-8-en-5-imine
CID 143491208
(Z)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]but-2-en-1-imine
CID 162588361
(E)-1,1,1-trifluoro-N,5-dimethyl-4-(4-methylcyclohexyl)hex-3-en-2-imine
CID 168907084
N-methyl-3,4-di(propan-2-yl)cyclohex-2-en-1-imine
CID 20631046
N-methyl-3,4-di(propan-2-yl)cyclohex-3-en-1-imine
CID 20631047
N,6-dimethyl-3,4,4a,8a-tetrahydro-2H-naphthalen-1-imine
CID 20827637

Frequently Asked Questions

What is the IUPAC name of 2-ethylidene-N-methyl-6-propan-2-ylcyclohexan-1-imine?
The IUPAC name of 2-ethylidene-N-methyl-6-propan-2-ylcyclohexan-1-imine (CID 123724075) is 2-ethylidene-N-methyl-6-propan-2-ylcyclohexan-1-imine.
What is the SMILES notation for 2-ethylidene-N-methyl-6-propan-2-ylcyclohexan-1-imine?
The canonical SMILES for 2-ethylidene-N-methyl-6-propan-2-ylcyclohexan-1-imine is CC=C1CCCC(C(C)C)/C1=N/C.
What is the InChIKey of 2-ethylidene-N-methyl-6-propan-2-ylcyclohexan-1-imine?
The InChIKey is GMZLVQMARUZXFN-DPGDMTMFSA-N. The full InChI is InChI=1S/C12H21N/c1-5-10-7-6-8-11(9(2)3)12(10)13-4/h5,9,11H,6-8H2,1-4H3/b10-5?,13-12+.
What are the key properties of 2-ethylidene-N-methyl-6-propan-2-ylcyclohexan-1-imine?
2-ethylidene-N-methyl-6-propan-2-ylcyclohexan-1-imine has a molecular weight of 179.31 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylidene-N-methyl-6-propan-2-ylcyclohexan-1-imine is sourced from PubChem (CID 123724075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).