5-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-2,2-dimethylpentanenitrile

C14H28N2O2 — CID 65257196

IUPAC5-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-2,2-dimethylpentanenitrile
SMILESCOCCN(CCCC(C)(C)C#N)C(C)COC
InChIInChI=1S/C14H28N2O2/c1-13(11-18-5)16(9-10-17-4)8-6-7-14(2,3)12-15/h13H,6-11H2,1-5H3
InChIKeyZDYOQGCEXYFYRL-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.30
Rot. Bonds10

About 5-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-2,2-dimethylpentanenitrile

5-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-2,2-dimethylpentanenitrile (PubChem CID 65257196) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 5-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-2,2-dimethylpentanenitrile.

Molecular Properties

Compound Name5-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-2,2-dimethylpentanenitrile
PubChem CID65257196
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name5-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-2,2-dimethylpentanenitrile
SMILESCOCCN(CCCC(C)(C)C#N)C(C)COC
InChIInChI=1S/C14H28N2O2/c1-13(11-18-5)16(9-10-17-4)8-6-7-14(2,3)12-15/h13H,6-11H2,1-5H3
InChIKeyZDYOQGCEXYFYRL-UHFFFAOYSA-N
XLogP2.30
TPSA45.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-methoxyethyl(propan-2-yl)amino]-2,2-dimethylpentanenitrile
CID 82951838
6-[ethyl(2-methoxyethyl)amino]-2,2-dimethylhexanenitrile
CID 106709904
5-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-2-methyl-2-(methylamino)pentan-1-ol
CID 64825594
3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]propan-1-ol
CID 61067521
6-[cyclopropyl(2-methoxyethyl)amino]-2,2-dimethylhexanenitrile
CID 106709912
2-amino-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-2-methylbutan-1-ol
CID 64827580
5-(3-methoxypropylsulfinyl)-2,2-dimethylpentanenitrile
CID 65263137
6-[2-methoxyethyl(propan-2-yl)amino]-2-methyl-2-(propylamino)hexanenitrile
CID 82960130
5-[3,3-dimethylbutan-2-yl(methyl)amino]-2,2-dimethylpentanenitrile
CID 65257362
6-[2-cyanoethyl(propan-2-yl)amino]-2,2-dimethylhexanenitrile
CID 106709737
6-[2-hydroxyethyl(propan-2-yl)amino]-2,2-dimethylhexanenitrile
CID 106709935
N'-(2-methoxyethyl)-N'-(1-methoxypropan-2-yl)-N-prop-2-enylethane-1,2-diamine
CID 62556998

Frequently Asked Questions

What is the IUPAC name of 5-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-2,2-dimethylpentanenitrile?
The IUPAC name of 5-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-2,2-dimethylpentanenitrile (CID 65257196) is 5-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-2,2-dimethylpentanenitrile.
What is the SMILES notation for 5-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-2,2-dimethylpentanenitrile?
The canonical SMILES for 5-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-2,2-dimethylpentanenitrile is COCCN(CCCC(C)(C)C#N)C(C)COC.
What is the InChIKey of 5-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-2,2-dimethylpentanenitrile?
The InChIKey is ZDYOQGCEXYFYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-13(11-18-5)16(9-10-17-4)8-6-7-14(2,3)12-15/h13H,6-11H2,1-5H3.
What are the key properties of 5-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-2,2-dimethylpentanenitrile?
5-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-2,2-dimethylpentanenitrile has a molecular weight of 256.39 g/mol, XLogP of 2.30, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-2,2-dimethylpentanenitrile is sourced from PubChem (CID 65257196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).