3-(3,4-dimethylcyclohexyl)oxy-2-methyl-2-(methylamino)propanenitrile

C13H24N2O — CID 64746571

IUPAC3-(3,4-dimethylcyclohexyl)oxy-2-methyl-2-(methylamino)propanenitrile
SMILESCNC(C)(C#N)COC1CCC(C)C(C)C1
InChIInChI=1S/C13H24N2O/c1-10-5-6-12(7-11(10)2)16-9-13(3,8-14)15-4/h10-12,15H,5-7,9H2,1-4H3
InChIKeyLJSTWGPFOBHYTR-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.33
Rot. Bonds4

About 3-(3,4-dimethylcyclohexyl)oxy-2-methyl-2-(methylamino)propanenitrile

3-(3,4-dimethylcyclohexyl)oxy-2-methyl-2-(methylamino)propanenitrile (PubChem CID 64746571) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 3-(3,4-dimethylcyclohexyl)oxy-2-methyl-2-(methylamino)propanenitrile.

Molecular Properties

Compound Name3-(3,4-dimethylcyclohexyl)oxy-2-methyl-2-(methylamino)propanenitrile
PubChem CID64746571
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name3-(3,4-dimethylcyclohexyl)oxy-2-methyl-2-(methylamino)propanenitrile
SMILESCNC(C)(C#N)COC1CCC(C)C(C)C1
InChIInChI=1S/C13H24N2O/c1-10-5-6-12(7-11(10)2)16-9-13(3,8-14)15-4/h10-12,15H,5-7,9H2,1-4H3
InChIKeyLJSTWGPFOBHYTR-UHFFFAOYSA-N
XLogP2.33
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(3,4-dimethylcyclohexyl)oxy-2-methylpropanenitrile
CID 64746560
methyl 3-(3,4-dimethylcyclohexyl)oxy-2-methyl-2-(methylamino)propanoate
CID 64746760
6-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)-2-methylhexanenitrile
CID 64746747
2-methyl-2-(methylamino)-3-(oxan-2-yloxy)propanenitrile
CID 139729827
3-(3,4-dimethylcyclohexyl)oxy-2-(methylamino)-2-phenylpropan-1-ol
CID 64807323
3-cyclobutyloxy-2-(cyclopropylamino)-2-methylpropanenitrile
CID 62141603
3-cyclobutyloxy-2-methyl-2-(propan-2-ylamino)propanenitrile
CID 62141602
4-(3,4-dimethylcyclohexyl)oxybutanenitrile
CID 64744374
3-(3,4-dimethylcyclohexyl)oxy-2-(propan-2-ylamino)propanenitrile
CID 64746384
methyl 2-amino-2-cyclopropyl-3-(3,4-dimethylcyclohexyl)oxypropanoate
CID 64747155
2-amino-4-(3,4-dimethylcyclohexyl)oxy-2-methylpentanenitrile
CID 64746754
methyl 5-(3,4-dimethylcyclohexyl)oxy-2-methyl-2-(methylamino)pentanoate
CID 64746965

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylcyclohexyl)oxy-2-methyl-2-(methylamino)propanenitrile?
The IUPAC name of 3-(3,4-dimethylcyclohexyl)oxy-2-methyl-2-(methylamino)propanenitrile (CID 64746571) is 3-(3,4-dimethylcyclohexyl)oxy-2-methyl-2-(methylamino)propanenitrile.
What is the SMILES notation for 3-(3,4-dimethylcyclohexyl)oxy-2-methyl-2-(methylamino)propanenitrile?
The canonical SMILES for 3-(3,4-dimethylcyclohexyl)oxy-2-methyl-2-(methylamino)propanenitrile is CNC(C)(C#N)COC1CCC(C)C(C)C1.
What is the InChIKey of 3-(3,4-dimethylcyclohexyl)oxy-2-methyl-2-(methylamino)propanenitrile?
The InChIKey is LJSTWGPFOBHYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-10-5-6-12(7-11(10)2)16-9-13(3,8-14)15-4/h10-12,15H,5-7,9H2,1-4H3.
What are the key properties of 3-(3,4-dimethylcyclohexyl)oxy-2-methyl-2-(methylamino)propanenitrile?
3-(3,4-dimethylcyclohexyl)oxy-2-methyl-2-(methylamino)propanenitrile has a molecular weight of 224.35 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylcyclohexyl)oxy-2-methyl-2-(methylamino)propanenitrile is sourced from PubChem (CID 64746571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).