4-[ethyl(methyl)amino]-2-methylbutanenitrile

C8H16N2 — CID 88586045

IUPAC4-[ethyl(methyl)amino]-2-methylbutanenitrile
SMILESCCN(C)CCC(C)C#N
InChIInChI=1S/C8H16N2/c1-4-10(3)6-5-8(2)7-9/h8H,4-6H2,1-3H3
InChIKeyQWVGCUDXWCKHRB-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.49
Rot. Bonds4

About 4-[ethyl(methyl)amino]-2-methylbutanenitrile

4-[ethyl(methyl)amino]-2-methylbutanenitrile (PubChem CID 88586045) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 4-[ethyl(methyl)amino]-2-methylbutanenitrile.

Molecular Properties

Compound Name4-[ethyl(methyl)amino]-2-methylbutanenitrile
PubChem CID88586045
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name4-[ethyl(methyl)amino]-2-methylbutanenitrile
SMILESCCN(C)CCC(C)C#N
InChIInChI=1S/C8H16N2/c1-4-10(3)6-5-8(2)7-9/h8H,4-6H2,1-3H3
InChIKeyQWVGCUDXWCKHRB-UHFFFAOYSA-N
XLogP1.49
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;N-ethyl-N,3-dimethylbutan-1-amine
CID 143818510
(3S)-N-ethyl-N,3-dimethylpentan-1-amine
CID 89357634
N-ethyl-N,3,5-trimethylheptan-1-amine
CID 123997066
6-(dimethylamino)-2-methylhexanenitrile
CID 54049734
5-(dipropylamino)-2-methylpentanenitrile
CID 143685466
2,6-dimethylheptanedinitrile
CID 15584321
N'-ethyl-N',2-dimethylbutane-1,4-diamine
CID 81079542
2-methyl-3-[methyl(pentyl)amino]propanenitrile
CID 43294879
ethane;1-N-ethyl-1-N,3-N-dimethylbutane-1,3-diamine
CID 153352387
2-[2-[ethyl(methyl)amino]ethylamino]butanenitrile
CID 62636607
1-N,3-N-diethyl-1-N-methyl-3-N-(2-methylbutyl)pentane-1,3-diamine
CID 170117708
3-[2-[ethyl(methyl)amino]ethylamino]butanenitrile
CID 62641386

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(methyl)amino]-2-methylbutanenitrile?
The IUPAC name of 4-[ethyl(methyl)amino]-2-methylbutanenitrile (CID 88586045) is 4-[ethyl(methyl)amino]-2-methylbutanenitrile.
What is the SMILES notation for 4-[ethyl(methyl)amino]-2-methylbutanenitrile?
The canonical SMILES for 4-[ethyl(methyl)amino]-2-methylbutanenitrile is CCN(C)CCC(C)C#N.
What is the InChIKey of 4-[ethyl(methyl)amino]-2-methylbutanenitrile?
The InChIKey is QWVGCUDXWCKHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-4-10(3)6-5-8(2)7-9/h8H,4-6H2,1-3H3.
What are the key properties of 4-[ethyl(methyl)amino]-2-methylbutanenitrile?
4-[ethyl(methyl)amino]-2-methylbutanenitrile has a molecular weight of 140.23 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(methyl)amino]-2-methylbutanenitrile is sourced from PubChem (CID 88586045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).