1-(2-methoxyethylamino)-2,4-dimethylcyclohexane-1-carbonitrile

C12H22N2O — CID 64754745

IUPAC1-(2-methoxyethylamino)-2,4-dimethylcyclohexane-1-carbonitrile
SMILESCOCCNC1(C#N)CCC(C)CC1C
InChIInChI=1S/C12H22N2O/c1-10-4-5-12(9-13,11(2)8-10)14-6-7-15-3/h10-11,14H,4-8H2,1-3H3
InChIKeyQLMJDMPEGTZIDS-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.94
Rot. Bonds4

About 1-(2-methoxyethylamino)-2,4-dimethylcyclohexane-1-carbonitrile

1-(2-methoxyethylamino)-2,4-dimethylcyclohexane-1-carbonitrile (PubChem CID 64754745) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-(2-methoxyethylamino)-2,4-dimethylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(2-methoxyethylamino)-2,4-dimethylcyclohexane-1-carbonitrile
PubChem CID64754745
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name1-(2-methoxyethylamino)-2,4-dimethylcyclohexane-1-carbonitrile
SMILESCOCCNC1(C#N)CCC(C)CC1C
InChIInChI=1S/C12H22N2O/c1-10-4-5-12(9-13,11(2)8-10)14-6-7-15-3/h10-11,14H,4-8H2,1-3H3
InChIKeyQLMJDMPEGTZIDS-UHFFFAOYSA-N
XLogP1.94
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-hydroxypropylamino)-2,4-dimethylcyclohexane-1-carbonitrile
CID 64755355
1-(2-azidoethylamino)-2,4-dimethylcyclohexane-1-carbonitrile
CID 66190184
1-(2-methoxyethylamino)cyclopropane-1-carbonitrile
CID 103439453
1-(4-methoxyanilino)-2,4-dimethylcyclohexane-1-carbonitrile
CID 64756359
1-(2-methoxyethylamino)-4-propan-2-ylcyclohexane-1-carbonitrile
CID 62704486
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methylcyclohexane-1-carbonitrile
CID 104568485
1-[(2-methoxyethylamino)methyl]-4-methylcyclohexan-1-ol
CID 62773369
1-(2-methoxyethylamino)-3-(2-methylpropyl)cyclohexane-1-carbonitrile
CID 107429246
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)-2,4-dimethylcyclohexan-1-amine
CID 64756414
3-(2-methoxyethylamino)oxolane-3-carbonitrile
CID 63335677
[1-(2-methoxyethylamino)-2-methylcyclopentyl]methanol
CID 65049890
1-(2-methoxyethyl)-2-methylcyclopentane-1-carbonitrile
CID 131162812

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethylamino)-2,4-dimethylcyclohexane-1-carbonitrile?
The IUPAC name of 1-(2-methoxyethylamino)-2,4-dimethylcyclohexane-1-carbonitrile (CID 64754745) is 1-(2-methoxyethylamino)-2,4-dimethylcyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(2-methoxyethylamino)-2,4-dimethylcyclohexane-1-carbonitrile?
The canonical SMILES for 1-(2-methoxyethylamino)-2,4-dimethylcyclohexane-1-carbonitrile is COCCNC1(C#N)CCC(C)CC1C.
What is the InChIKey of 1-(2-methoxyethylamino)-2,4-dimethylcyclohexane-1-carbonitrile?
The InChIKey is QLMJDMPEGTZIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-10-4-5-12(9-13,11(2)8-10)14-6-7-15-3/h10-11,14H,4-8H2,1-3H3.
What are the key properties of 1-(2-methoxyethylamino)-2,4-dimethylcyclohexane-1-carbonitrile?
1-(2-methoxyethylamino)-2,4-dimethylcyclohexane-1-carbonitrile has a molecular weight of 210.32 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethylamino)-2,4-dimethylcyclohexane-1-carbonitrile is sourced from PubChem (CID 64754745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).