5-[2-methoxyethyl(propan-2-yl)amino]-2,2-dimethylpentanenitrile

C13H26N2O — CID 82951838

IUPAC5-[2-methoxyethyl(propan-2-yl)amino]-2,2-dimethylpentanenitrile
SMILESCOCCN(CCCC(C)(C)C#N)C(C)C
InChIInChI=1S/C13H26N2O/c1-12(2)15(9-10-16-5)8-6-7-13(3,4)11-14/h12H,6-10H2,1-5H3
InChIKeyJFCJEHYONUVHCY-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.67
Rot. Bonds8

About 5-[2-methoxyethyl(propan-2-yl)amino]-2,2-dimethylpentanenitrile

5-[2-methoxyethyl(propan-2-yl)amino]-2,2-dimethylpentanenitrile (PubChem CID 82951838) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 5-[2-methoxyethyl(propan-2-yl)amino]-2,2-dimethylpentanenitrile.

Molecular Properties

Compound Name5-[2-methoxyethyl(propan-2-yl)amino]-2,2-dimethylpentanenitrile
PubChem CID82951838
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name5-[2-methoxyethyl(propan-2-yl)amino]-2,2-dimethylpentanenitrile
SMILESCOCCN(CCCC(C)(C)C#N)C(C)C
InChIInChI=1S/C13H26N2O/c1-12(2)15(9-10-16-5)8-6-7-13(3,4)11-14/h12H,6-10H2,1-5H3
InChIKeyJFCJEHYONUVHCY-UHFFFAOYSA-N
XLogP2.67
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
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-methoxyethyl(1-methoxypropan-2-yl)amino]-2,2-dimethylpentanenitrile
CID 65257196
6-[2-hydroxyethyl(propan-2-yl)amino]-2,2-dimethylhexanenitrile
CID 106709935
6-[2-cyanoethyl(propan-2-yl)amino]-2,2-dimethylhexanenitrile
CID 106709737
N'-(2-methoxyethyl)-3,3-dimethyl-N'-propan-2-ylhexane-1,6-diamine
CID 82951497
3-methoxy-N-(2-methoxyethyl)-N-propan-2-ylpropan-1-amine
CID 177187385
6-[2-methoxyethyl(propan-2-yl)amino]-2-methyl-2-(propylamino)hexanenitrile
CID 82960130
6-[ethyl(2-methoxyethyl)amino]-2,2-dimethylhexanenitrile
CID 106709904
6-[cyclopropyl(2-methoxyethyl)amino]-2,2-dimethylhexanenitrile
CID 106709912
3-chloro-N-(2-methoxyethyl)-N-propan-2-ylpropan-1-amine
CID 63389217
N'-(2-methoxyethyl)-N'-propan-2-ylpropane-1,3-diamine
CID 43137377
ethyl 2-[(5-cyano-5-methylhexyl)-propan-2-ylamino]acetate
CID 106713790
5-(2-methoxyethylsulfonyl)-2,2-dimethylpentanenitrile
CID 65263083

Frequently Asked Questions

What is the IUPAC name of 5-[2-methoxyethyl(propan-2-yl)amino]-2,2-dimethylpentanenitrile?
The IUPAC name of 5-[2-methoxyethyl(propan-2-yl)amino]-2,2-dimethylpentanenitrile (CID 82951838) is 5-[2-methoxyethyl(propan-2-yl)amino]-2,2-dimethylpentanenitrile.
What is the SMILES notation for 5-[2-methoxyethyl(propan-2-yl)amino]-2,2-dimethylpentanenitrile?
The canonical SMILES for 5-[2-methoxyethyl(propan-2-yl)amino]-2,2-dimethylpentanenitrile is COCCN(CCCC(C)(C)C#N)C(C)C.
What is the InChIKey of 5-[2-methoxyethyl(propan-2-yl)amino]-2,2-dimethylpentanenitrile?
The InChIKey is JFCJEHYONUVHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-12(2)15(9-10-16-5)8-6-7-13(3,4)11-14/h12H,6-10H2,1-5H3.
What are the key properties of 5-[2-methoxyethyl(propan-2-yl)amino]-2,2-dimethylpentanenitrile?
5-[2-methoxyethyl(propan-2-yl)amino]-2,2-dimethylpentanenitrile has a molecular weight of 226.36 g/mol, XLogP of 2.67, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methoxyethyl(propan-2-yl)amino]-2,2-dimethylpentanenitrile is sourced from PubChem (CID 82951838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).