4-[3-(dimethylamino)propyl-ethylamino]-2,2-dimethylbutanenitrile

C13H27N3 — CID 102993281

IUPAC4-[3-(dimethylamino)propyl-ethylamino]-2,2-dimethylbutanenitrile
SMILESCCN(CCCN(C)C)CCC(C)(C)C#N
InChIInChI=1S/C13H27N3/c1-6-16(10-7-9-15(4)5)11-8-13(2,3)12-14/h6-11H2,1-5H3
InChIKeyJMOJPIBXZMBNQZ-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.20
Rot. Bonds8

About 4-[3-(dimethylamino)propyl-ethylamino]-2,2-dimethylbutanenitrile

4-[3-(dimethylamino)propyl-ethylamino]-2,2-dimethylbutanenitrile (PubChem CID 102993281) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 4-[3-(dimethylamino)propyl-ethylamino]-2,2-dimethylbutanenitrile.

Molecular Properties

Compound Name4-[3-(dimethylamino)propyl-ethylamino]-2,2-dimethylbutanenitrile
PubChem CID102993281
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name4-[3-(dimethylamino)propyl-ethylamino]-2,2-dimethylbutanenitrile
SMILESCCN(CCCN(C)C)CCC(C)(C)C#N
InChIInChI=1S/C13H27N3/c1-6-16(10-7-9-15(4)5)11-8-13(2,3)12-14/h6-11H2,1-5H3
InChIKeyJMOJPIBXZMBNQZ-UHFFFAOYSA-N
XLogP2.20
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(diethylamino)-2,2-dimethylbutanenitrile
CID 65251314
5-[ethyl(3-hydroxypropyl)amino]-2,2-dimethylpentanenitrile
CID 115672467
6-[ethyl(2-methoxyethyl)amino]-2,2-dimethylhexanenitrile
CID 106709904
5-[3-(dimethylamino)propyl-ethylamino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile
CID 106804047
4-[3-(diethylamino)propylamino]-2,2-dimethylbutanenitrile
CID 65248790
5-[ethyl(2-ethylbutyl)amino]-2,2-dimethylpentanenitrile
CID 65257246
5-[2-[ethyl(propyl)amino]ethylamino]-2,2-dimethylpentanenitrile
CID 114133524
methyl 3-[(4-cyano-4-methylpentyl)-ethylamino]propanoate
CID 65254927
3-[(3-cyano-3-methylbutyl)-ethylamino]-2-methylpropanoic acid
CID 65250416
6-[2-(dimethylamino)ethyl-methylamino]-2,2-dimethylhexanenitrile
CID 106710028
4-[butan-2-yl(methyl)amino]-2,2-dimethylbutanenitrile
CID 65251542
N'-ethyl-N,N-dimethyl-N'-(3-piperidin-4-ylpropyl)propane-1,3-diamine
CID 102994383

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)propyl-ethylamino]-2,2-dimethylbutanenitrile?
The IUPAC name of 4-[3-(dimethylamino)propyl-ethylamino]-2,2-dimethylbutanenitrile (CID 102993281) is 4-[3-(dimethylamino)propyl-ethylamino]-2,2-dimethylbutanenitrile.
What is the SMILES notation for 4-[3-(dimethylamino)propyl-ethylamino]-2,2-dimethylbutanenitrile?
The canonical SMILES for 4-[3-(dimethylamino)propyl-ethylamino]-2,2-dimethylbutanenitrile is CCN(CCCN(C)C)CCC(C)(C)C#N.
What is the InChIKey of 4-[3-(dimethylamino)propyl-ethylamino]-2,2-dimethylbutanenitrile?
The InChIKey is JMOJPIBXZMBNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-6-16(10-7-9-15(4)5)11-8-13(2,3)12-14/h6-11H2,1-5H3.
What are the key properties of 4-[3-(dimethylamino)propyl-ethylamino]-2,2-dimethylbutanenitrile?
4-[3-(dimethylamino)propyl-ethylamino]-2,2-dimethylbutanenitrile has a molecular weight of 225.38 g/mol, XLogP of 2.20, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)propyl-ethylamino]-2,2-dimethylbutanenitrile is sourced from PubChem (CID 102993281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).