4-(diethylamino)-2,2-dimethylbutanenitrile

C10H20N2 — CID 65251314

IUPAC4-(diethylamino)-2,2-dimethylbutanenitrile
SMILESCCN(CC)CCC(C)(C)C#N
InChIInChI=1S/C10H20N2/c1-5-12(6-2)8-7-10(3,4)9-11/h5-8H2,1-4H3
InChIKeyVCQZHZQDOTWEPC-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.27
Rot. Bonds5

About 4-(diethylamino)-2,2-dimethylbutanenitrile

4-(diethylamino)-2,2-dimethylbutanenitrile (PubChem CID 65251314) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 4-(diethylamino)-2,2-dimethylbutanenitrile.

Molecular Properties

Compound Name4-(diethylamino)-2,2-dimethylbutanenitrile
PubChem CID65251314
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name4-(diethylamino)-2,2-dimethylbutanenitrile
SMILESCCN(CC)CCC(C)(C)C#N
InChIInChI=1S/C10H20N2/c1-5-12(6-2)8-7-10(3,4)9-11/h5-8H2,1-4H3
InChIKeyVCQZHZQDOTWEPC-UHFFFAOYSA-N
XLogP2.27
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(dimethylamino)propyl-ethylamino]-2,2-dimethylbutanenitrile
CID 102993281
3-[(3-cyano-3-methylbutyl)-ethylamino]-2-methylpropanoic acid
CID 65250416
4-[3-(diethylamino)propylamino]-2,2-dimethylbutanenitrile
CID 65248790
5-[ethyl(3-hydroxypropyl)amino]-2,2-dimethylpentanenitrile
CID 115672467
5-[ethyl(2-ethylbutyl)amino]-2,2-dimethylpentanenitrile
CID 65257246
4-[butan-2-yl(methyl)amino]-2,2-dimethylbutanenitrile
CID 65251542
5-[2-[ethyl(propyl)amino]ethylamino]-2,2-dimethylpentanenitrile
CID 114133524
6-[ethyl(2-methoxyethyl)amino]-2,2-dimethylhexanenitrile
CID 106709904
4-[cyclopentyl(ethyl)amino]-2,2-dimethylbutanenitrile
CID 65251709
2,2-dimethylbutanenitrile;ethane
CID 144998313
methyl 3-[(4-cyano-4-methylpentyl)-ethylamino]propanoate
CID 65254927
5-[3-(diethylamino)propyl-ethylamino]-2-(ethylamino)-2-methylpentanenitrile
CID 102996424

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-2,2-dimethylbutanenitrile?
The IUPAC name of 4-(diethylamino)-2,2-dimethylbutanenitrile (CID 65251314) is 4-(diethylamino)-2,2-dimethylbutanenitrile.
What is the SMILES notation for 4-(diethylamino)-2,2-dimethylbutanenitrile?
The canonical SMILES for 4-(diethylamino)-2,2-dimethylbutanenitrile is CCN(CC)CCC(C)(C)C#N.
What is the InChIKey of 4-(diethylamino)-2,2-dimethylbutanenitrile?
The InChIKey is VCQZHZQDOTWEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-5-12(6-2)8-7-10(3,4)9-11/h5-8H2,1-4H3.
What are the key properties of 4-(diethylamino)-2,2-dimethylbutanenitrile?
4-(diethylamino)-2,2-dimethylbutanenitrile has a molecular weight of 168.28 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-2,2-dimethylbutanenitrile is sourced from PubChem (CID 65251314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).