3-[2-[(2-methylpropan-2-yl)oxy]ethyl-(2-methylpropyl)amino]propanenitrile

C13H26N2O — CID 112692573

IUPAC3-[2-[(2-methylpropan-2-yl)oxy]ethyl-(2-methylpropyl)amino]propanenitrile
SMILESCC(C)CN(CCC#N)CCOC(C)(C)C
InChIInChI=1S/C13H26N2O/c1-12(2)11-15(8-6-7-14)9-10-16-13(3,4)5/h12H,6,8-11H2,1-5H3
InChIKeyMBHGRNGCKCGJOS-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.67
Rot. Bonds7

About 3-[2-[(2-methylpropan-2-yl)oxy]ethyl-(2-methylpropyl)amino]propanenitrile

3-[2-[(2-methylpropan-2-yl)oxy]ethyl-(2-methylpropyl)amino]propanenitrile (PubChem CID 112692573) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-[2-[(2-methylpropan-2-yl)oxy]ethyl-(2-methylpropyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[2-[(2-methylpropan-2-yl)oxy]ethyl-(2-methylpropyl)amino]propanenitrile
PubChem CID112692573
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3-[2-[(2-methylpropan-2-yl)oxy]ethyl-(2-methylpropyl)amino]propanenitrile
SMILESCC(C)CN(CCC#N)CCOC(C)(C)C
InChIInChI=1S/C13H26N2O/c1-12(2)11-15(8-6-7-14)9-10-16-13(3,4)5/h12H,6,8-11H2,1-5H3
InChIKeyMBHGRNGCKCGJOS-UHFFFAOYSA-N
XLogP2.67
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-cyanoethyl(2-methylpropyl)amino]pentanenitrile
CID 55028946
3-[dodecyl(2-methylpropyl)amino]propanenitrile
CID 63517908
3-[2-methylpropyl(octyl)amino]propanenitrile
CID 63516603
3-[2-ethylsulfanylethyl(2-methylpropyl)amino]propanenitrile
CID 115647789
3-[2-cyanoethyl(2-methylpropyl)amino]-2,2-dimethylpropanoic acid
CID 79623580
2-[[2-cyanoethyl(2-methylpropyl)amino]methyl]-3,3,3-trifluoropropanenitrile
CID 103367843
3-[(3-bromo-2-methylpropyl)-(2-methoxyethyl)amino]propanenitrile
CID 64995233
3-[2-methylpropyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]propanenitrile
CID 63900625
N-tert-butyl-2-[2-cyanoethyl(2-methylpropyl)amino]acetamide
CID 54940342
3-[2-methylpropyl(4-oxopentyl)amino]propanenitrile
CID 62052627
3-[3-ethylsulfonylpropyl(2-methylpropyl)amino]propanenitrile
CID 65092853
3-[2-[2-[2-[bis(2-cyanoethyl)amino]ethoxy]propan-2-yloxy]ethylamino]propanenitrile
CID 178166458

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-methylpropan-2-yl)oxy]ethyl-(2-methylpropyl)amino]propanenitrile?
The IUPAC name of 3-[2-[(2-methylpropan-2-yl)oxy]ethyl-(2-methylpropyl)amino]propanenitrile (CID 112692573) is 3-[2-[(2-methylpropan-2-yl)oxy]ethyl-(2-methylpropyl)amino]propanenitrile.
What is the SMILES notation for 3-[2-[(2-methylpropan-2-yl)oxy]ethyl-(2-methylpropyl)amino]propanenitrile?
The canonical SMILES for 3-[2-[(2-methylpropan-2-yl)oxy]ethyl-(2-methylpropyl)amino]propanenitrile is CC(C)CN(CCC#N)CCOC(C)(C)C.
What is the InChIKey of 3-[2-[(2-methylpropan-2-yl)oxy]ethyl-(2-methylpropyl)amino]propanenitrile?
The InChIKey is MBHGRNGCKCGJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-12(2)11-15(8-6-7-14)9-10-16-13(3,4)5/h12H,6,8-11H2,1-5H3.
What are the key properties of 3-[2-[(2-methylpropan-2-yl)oxy]ethyl-(2-methylpropyl)amino]propanenitrile?
3-[2-[(2-methylpropan-2-yl)oxy]ethyl-(2-methylpropyl)amino]propanenitrile has a molecular weight of 226.36 g/mol, XLogP of 2.67, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-methylpropan-2-yl)oxy]ethyl-(2-methylpropyl)amino]propanenitrile is sourced from PubChem (CID 112692573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).