2-(3,3-dimethylmorpholin-4-yl)-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile

C18H32N2O — CID 61432679

IUPAC2-(3,3-dimethylmorpholin-4-yl)-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile
SMILESCCC(C)(C)C1CCC(C#N)C(N2CCOCC2(C)C)C1
InChIInChI=1S/C18H32N2O/c1-6-17(2,3)15-8-7-14(12-19)16(11-15)20-9-10-21-13-18(20,4)5/h14-16H,6-11,13H2,1-5H3
InChIKeyJTRIPMMAQQLYDH-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.84
Rot. Bonds3

About 2-(3,3-dimethylmorpholin-4-yl)-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile

2-(3,3-dimethylmorpholin-4-yl)-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile (PubChem CID 61432679) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 2-(3,3-dimethylmorpholin-4-yl)-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-(3,3-dimethylmorpholin-4-yl)-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile
PubChem CID61432679
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name2-(3,3-dimethylmorpholin-4-yl)-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile
SMILESCCC(C)(C)C1CCC(C#N)C(N2CCOCC2(C)C)C1
InChIInChI=1S/C18H32N2O/c1-6-17(2,3)15-8-7-14(12-19)16(11-15)20-9-10-21-13-18(20,4)5/h14-16H,6-11,13H2,1-5H3
InChIKeyJTRIPMMAQQLYDH-UHFFFAOYSA-N
XLogP3.84
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylmorpholin-4-yl)-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile?
The IUPAC name of 2-(3,3-dimethylmorpholin-4-yl)-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile (CID 61432679) is 2-(3,3-dimethylmorpholin-4-yl)-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile.
What is the SMILES notation for 2-(3,3-dimethylmorpholin-4-yl)-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile?
The canonical SMILES for 2-(3,3-dimethylmorpholin-4-yl)-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile is CCC(C)(C)C1CCC(C#N)C(N2CCOCC2(C)C)C1.
What is the InChIKey of 2-(3,3-dimethylmorpholin-4-yl)-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile?
The InChIKey is JTRIPMMAQQLYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-6-17(2,3)15-8-7-14(12-19)16(11-15)20-9-10-21-13-18(20,4)5/h14-16H,6-11,13H2,1-5H3.
What are the key properties of 2-(3,3-dimethylmorpholin-4-yl)-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile?
2-(3,3-dimethylmorpholin-4-yl)-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile has a molecular weight of 292.47 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylmorpholin-4-yl)-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile is sourced from PubChem (CID 61432679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).