4-(2-methylbutan-2-yl)-2-[methyl(oxan-4-yl)amino]cyclohexane-1-carbonitrile

C18H32N2O — CID 43611137

IUPAC4-(2-methylbutan-2-yl)-2-[methyl(oxan-4-yl)amino]cyclohexane-1-carbonitrile
SMILESCCC(C)(C)C1CCC(C#N)C(N(C)C2CCOCC2)C1
InChIInChI=1S/C18H32N2O/c1-5-18(2,3)15-7-6-14(13-19)17(12-15)20(4)16-8-10-21-11-9-16/h14-17H,5-12H2,1-4H3
InChIKeyFAWXYSZRUDIZOE-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.84
Rot. Bonds4

About 4-(2-methylbutan-2-yl)-2-[methyl(oxan-4-yl)amino]cyclohexane-1-carbonitrile

4-(2-methylbutan-2-yl)-2-[methyl(oxan-4-yl)amino]cyclohexane-1-carbonitrile (PubChem CID 43611137) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 4-(2-methylbutan-2-yl)-2-[methyl(oxan-4-yl)amino]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-(2-methylbutan-2-yl)-2-[methyl(oxan-4-yl)amino]cyclohexane-1-carbonitrile
PubChem CID43611137
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name4-(2-methylbutan-2-yl)-2-[methyl(oxan-4-yl)amino]cyclohexane-1-carbonitrile
SMILESCCC(C)(C)C1CCC(C#N)C(N(C)C2CCOCC2)C1
InChIInChI=1S/C18H32N2O/c1-5-18(2,3)15-7-6-14(13-19)17(12-15)20(4)16-8-10-21-11-9-16/h14-17H,5-12H2,1-4H3
InChIKeyFAWXYSZRUDIZOE-UHFFFAOYSA-N
XLogP3.84
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
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 4-(2-methylbutan-2-yl)-2-[methyl(oxan-4-yl)amino]cyclohexane-1-carbonitrile?
The IUPAC name of 4-(2-methylbutan-2-yl)-2-[methyl(oxan-4-yl)amino]cyclohexane-1-carbonitrile (CID 43611137) is 4-(2-methylbutan-2-yl)-2-[methyl(oxan-4-yl)amino]cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-(2-methylbutan-2-yl)-2-[methyl(oxan-4-yl)amino]cyclohexane-1-carbonitrile?
The canonical SMILES for 4-(2-methylbutan-2-yl)-2-[methyl(oxan-4-yl)amino]cyclohexane-1-carbonitrile is CCC(C)(C)C1CCC(C#N)C(N(C)C2CCOCC2)C1.
What is the InChIKey of 4-(2-methylbutan-2-yl)-2-[methyl(oxan-4-yl)amino]cyclohexane-1-carbonitrile?
The InChIKey is FAWXYSZRUDIZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-5-18(2,3)15-7-6-14(13-19)17(12-15)20(4)16-8-10-21-11-9-16/h14-17H,5-12H2,1-4H3.
What are the key properties of 4-(2-methylbutan-2-yl)-2-[methyl(oxan-4-yl)amino]cyclohexane-1-carbonitrile?
4-(2-methylbutan-2-yl)-2-[methyl(oxan-4-yl)amino]cyclohexane-1-carbonitrile has a molecular weight of 292.47 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutan-2-yl)-2-[methyl(oxan-4-yl)amino]cyclohexane-1-carbonitrile is sourced from PubChem (CID 43611137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).