3-(cyclohexylmethoxy)-2-methyl-2-(propylamino)propanenitrile

C14H26N2O — CID 62384117

IUPAC3-(cyclohexylmethoxy)-2-methyl-2-(propylamino)propanenitrile
SMILESCCCNC(C)(C#N)COCC1CCCCC1
InChIInChI=1S/C14H26N2O/c1-3-9-16-14(2,11-15)12-17-10-13-7-5-4-6-8-13/h13,16H,3-10,12H2,1-2H3
InChIKeyRMGWXXBWVAJIRY-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.87
Rot. Bonds7

About 3-(cyclohexylmethoxy)-2-methyl-2-(propylamino)propanenitrile

3-(cyclohexylmethoxy)-2-methyl-2-(propylamino)propanenitrile (PubChem CID 62384117) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 3-(cyclohexylmethoxy)-2-methyl-2-(propylamino)propanenitrile.

Molecular Properties

Compound Name3-(cyclohexylmethoxy)-2-methyl-2-(propylamino)propanenitrile
PubChem CID62384117
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name3-(cyclohexylmethoxy)-2-methyl-2-(propylamino)propanenitrile
SMILESCCCNC(C)(C#N)COCC1CCCCC1
InChIInChI=1S/C14H26N2O/c1-3-9-16-14(2,11-15)12-17-10-13-7-5-4-6-8-13/h13,16H,3-10,12H2,1-2H3
InChIKeyRMGWXXBWVAJIRY-UHFFFAOYSA-N
XLogP2.87
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethoxy)-2-methyl-2-(propylamino)propanenitrile?
The IUPAC name of 3-(cyclohexylmethoxy)-2-methyl-2-(propylamino)propanenitrile (CID 62384117) is 3-(cyclohexylmethoxy)-2-methyl-2-(propylamino)propanenitrile.
What is the SMILES notation for 3-(cyclohexylmethoxy)-2-methyl-2-(propylamino)propanenitrile?
The canonical SMILES for 3-(cyclohexylmethoxy)-2-methyl-2-(propylamino)propanenitrile is CCCNC(C)(C#N)COCC1CCCCC1.
What is the InChIKey of 3-(cyclohexylmethoxy)-2-methyl-2-(propylamino)propanenitrile?
The InChIKey is RMGWXXBWVAJIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-3-9-16-14(2,11-15)12-17-10-13-7-5-4-6-8-13/h13,16H,3-10,12H2,1-2H3.
What are the key properties of 3-(cyclohexylmethoxy)-2-methyl-2-(propylamino)propanenitrile?
3-(cyclohexylmethoxy)-2-methyl-2-(propylamino)propanenitrile has a molecular weight of 238.37 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethoxy)-2-methyl-2-(propylamino)propanenitrile is sourced from PubChem (CID 62384117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).