1-(2-methoxyethylamino)-3-(2-methylpropyl)cyclohexane-1-carbonitrile

C14H26N2O — CID 107429246

IUPAC1-(2-methoxyethylamino)-3-(2-methylpropyl)cyclohexane-1-carbonitrile
SMILESCOCCNC1(C#N)CCCC(CC(C)C)C1
InChIInChI=1S/C14H26N2O/c1-12(2)9-13-5-4-6-14(10-13,11-15)16-7-8-17-3/h12-13,16H,4-10H2,1-3H3
InChIKeyHGBFQDVSOCVWCR-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.72
Rot. Bonds6

About 1-(2-methoxyethylamino)-3-(2-methylpropyl)cyclohexane-1-carbonitrile

1-(2-methoxyethylamino)-3-(2-methylpropyl)cyclohexane-1-carbonitrile (PubChem CID 107429246) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-(2-methoxyethylamino)-3-(2-methylpropyl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(2-methoxyethylamino)-3-(2-methylpropyl)cyclohexane-1-carbonitrile
PubChem CID107429246
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name1-(2-methoxyethylamino)-3-(2-methylpropyl)cyclohexane-1-carbonitrile
SMILESCOCCNC1(C#N)CCCC(CC(C)C)C1
InChIInChI=1S/C14H26N2O/c1-12(2)9-13-5-4-6-14(10-13,11-15)16-7-8-17-3/h12-13,16H,4-10H2,1-3H3
InChIKeyHGBFQDVSOCVWCR-UHFFFAOYSA-N
XLogP2.72
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.72
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)-3-(2-methylpropyl)cyclohexane-1-carbonitrile
CID 107429248
1-(2-methoxyethylamino)-4-propan-2-ylcyclohexane-1-carbonitrile
CID 62704486
1-(2-methoxyethylamino)cyclopropane-1-carbonitrile
CID 103439453
3-(2-methoxyethoxy)-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 79625682
3-[2-(2-methoxyethoxy)ethoxy]-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 104564889
3-[butan-2-yl(2-methoxyethyl)amino]-1-(propylamino)cyclohexane-1-carbonitrile
CID 79628582
3-(1-methoxypropan-2-yloxy)-1-(propylamino)cyclohexane-1-carbonitrile
CID 79637001
1-(4-methoxybutan-2-yl)-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429641
3-(2-methoxyethylsulfanyl)-1-(propylamino)cyclohexane-1-carbonitrile
CID 79636236
1-chloro-3-(2-methylpropyl)cyclohexane-1-carbonitrile
CID 107430290
3-(2-methoxyethylamino)thiane-3-carbonitrile
CID 62872774
1-(ethylamino)-3-[2-(3-methoxypropoxy)ethoxy]cyclohexane-1-carbonitrile
CID 103179797

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethylamino)-3-(2-methylpropyl)cyclohexane-1-carbonitrile?
The IUPAC name of 1-(2-methoxyethylamino)-3-(2-methylpropyl)cyclohexane-1-carbonitrile (CID 107429246) is 1-(2-methoxyethylamino)-3-(2-methylpropyl)cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(2-methoxyethylamino)-3-(2-methylpropyl)cyclohexane-1-carbonitrile?
The canonical SMILES for 1-(2-methoxyethylamino)-3-(2-methylpropyl)cyclohexane-1-carbonitrile is COCCNC1(C#N)CCCC(CC(C)C)C1.
What is the InChIKey of 1-(2-methoxyethylamino)-3-(2-methylpropyl)cyclohexane-1-carbonitrile?
The InChIKey is HGBFQDVSOCVWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-12(2)9-13-5-4-6-14(10-13,11-15)16-7-8-17-3/h12-13,16H,4-10H2,1-3H3.
What are the key properties of 1-(2-methoxyethylamino)-3-(2-methylpropyl)cyclohexane-1-carbonitrile?
1-(2-methoxyethylamino)-3-(2-methylpropyl)cyclohexane-1-carbonitrile has a molecular weight of 238.37 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethylamino)-3-(2-methylpropyl)cyclohexane-1-carbonitrile is sourced from PubChem (CID 107429246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).