5-[ethyl(2-ethylbutyl)amino]-2,2-dimethylpentanenitrile

C15H30N2 — CID 65257246

IUPAC5-[ethyl(2-ethylbutyl)amino]-2,2-dimethylpentanenitrile
SMILESCCC(CC)CN(CC)CCCC(C)(C)C#N
InChIInChI=1S/C15H30N2/c1-6-14(7-2)12-17(8-3)11-9-10-15(4,5)13-16/h14H,6-12H2,1-5H3
InChIKeyZGHBBFZQLOCAQO-UHFFFAOYSA-N
MW238.42 g/mol
LogP4.07
Rot. Bonds9

About 5-[ethyl(2-ethylbutyl)amino]-2,2-dimethylpentanenitrile

5-[ethyl(2-ethylbutyl)amino]-2,2-dimethylpentanenitrile (PubChem CID 65257246) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 5-[ethyl(2-ethylbutyl)amino]-2,2-dimethylpentanenitrile.

Molecular Properties

Compound Name5-[ethyl(2-ethylbutyl)amino]-2,2-dimethylpentanenitrile
PubChem CID65257246
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name5-[ethyl(2-ethylbutyl)amino]-2,2-dimethylpentanenitrile
SMILESCCC(CC)CN(CC)CCCC(C)(C)C#N
InChIInChI=1S/C15H30N2/c1-6-14(7-2)12-17(8-3)11-9-10-15(4,5)13-16/h14H,6-12H2,1-5H3
InChIKeyZGHBBFZQLOCAQO-UHFFFAOYSA-N
XLogP4.07
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[ethyl(3-hydroxypropyl)amino]-2,2-dimethylpentanenitrile
CID 115672467
2-amino-5-[ethyl(2-ethylbutyl)amino]-2-methylpentan-1-ol
CID 64826939
4-(diethylamino)-2,2-dimethylbutanenitrile
CID 65251314
4-[3-(dimethylamino)propyl-ethylamino]-2,2-dimethylbutanenitrile
CID 102993281
6-[ethyl(2-methoxyethyl)amino]-2,2-dimethylhexanenitrile
CID 106709904
methyl 3-[(4-cyano-4-methylpentyl)-ethylamino]propanoate
CID 65254927
4-[3-(diethylamino)propylamino]-2,2-dimethylbutanenitrile
CID 65248790
N,2-diethyl-N-(3-piperidin-4-ylpropyl)butan-1-amine
CID 62212514
3-[(3-cyano-3-methylbutyl)-ethylamino]-2-methylpropanoic acid
CID 65250416
6-chloro-N-ethyl-N-(2-ethylbutyl)hexan-1-amine
CID 63447266
5-[2-[ethyl(propyl)amino]ethylamino]-2,2-dimethylpentanenitrile
CID 114133524
2-amino-4-[ethyl(2-ethylbutyl)amino]butanenitrile
CID 63028708

Frequently Asked Questions

What is the IUPAC name of 5-[ethyl(2-ethylbutyl)amino]-2,2-dimethylpentanenitrile?
The IUPAC name of 5-[ethyl(2-ethylbutyl)amino]-2,2-dimethylpentanenitrile (CID 65257246) is 5-[ethyl(2-ethylbutyl)amino]-2,2-dimethylpentanenitrile.
What is the SMILES notation for 5-[ethyl(2-ethylbutyl)amino]-2,2-dimethylpentanenitrile?
The canonical SMILES for 5-[ethyl(2-ethylbutyl)amino]-2,2-dimethylpentanenitrile is CCC(CC)CN(CC)CCCC(C)(C)C#N.
What is the InChIKey of 5-[ethyl(2-ethylbutyl)amino]-2,2-dimethylpentanenitrile?
The InChIKey is ZGHBBFZQLOCAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-6-14(7-2)12-17(8-3)11-9-10-15(4,5)13-16/h14H,6-12H2,1-5H3.
What are the key properties of 5-[ethyl(2-ethylbutyl)amino]-2,2-dimethylpentanenitrile?
5-[ethyl(2-ethylbutyl)amino]-2,2-dimethylpentanenitrile has a molecular weight of 238.42 g/mol, XLogP of 4.07, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl(2-ethylbutyl)amino]-2,2-dimethylpentanenitrile is sourced from PubChem (CID 65257246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).