2-[[ethyl(methyl)amino]methyl]-2,3-dimethylbutanenitrile

C10H20N2 — CID 21336414

IUPAC2-[[ethyl(methyl)amino]methyl]-2,3-dimethylbutanenitrile
SMILESCCN(C)CC(C)(C#N)C(C)C
InChIInChI=1S/C10H20N2/c1-6-12(5)8-10(4,7-11)9(2)3/h9H,6,8H2,1-5H3
InChIKeyRWHMXVFFURQEPR-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.12
Rot. Bonds4

About 2-[[ethyl(methyl)amino]methyl]-2,3-dimethylbutanenitrile

2-[[ethyl(methyl)amino]methyl]-2,3-dimethylbutanenitrile (PubChem CID 21336414) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 2-[[ethyl(methyl)amino]methyl]-2,3-dimethylbutanenitrile.

Molecular Properties

Compound Name2-[[ethyl(methyl)amino]methyl]-2,3-dimethylbutanenitrile
PubChem CID21336414
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name2-[[ethyl(methyl)amino]methyl]-2,3-dimethylbutanenitrile
SMILESCCN(C)CC(C)(C#N)C(C)C
InChIInChI=1S/C10H20N2/c1-6-12(5)8-10(4,7-11)9(2)3/h9H,6,8H2,1-5H3
InChIKeyRWHMXVFFURQEPR-UHFFFAOYSA-N
XLogP2.12
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(methyl)amino]methyl]-2,3-dimethylbutanenitrile?
The IUPAC name of 2-[[ethyl(methyl)amino]methyl]-2,3-dimethylbutanenitrile (CID 21336414) is 2-[[ethyl(methyl)amino]methyl]-2,3-dimethylbutanenitrile.
What is the SMILES notation for 2-[[ethyl(methyl)amino]methyl]-2,3-dimethylbutanenitrile?
The canonical SMILES for 2-[[ethyl(methyl)amino]methyl]-2,3-dimethylbutanenitrile is CCN(C)CC(C)(C#N)C(C)C.
What is the InChIKey of 2-[[ethyl(methyl)amino]methyl]-2,3-dimethylbutanenitrile?
The InChIKey is RWHMXVFFURQEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-6-12(5)8-10(4,7-11)9(2)3/h9H,6,8H2,1-5H3.
What are the key properties of 2-[[ethyl(methyl)amino]methyl]-2,3-dimethylbutanenitrile?
2-[[ethyl(methyl)amino]methyl]-2,3-dimethylbutanenitrile has a molecular weight of 168.28 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(methyl)amino]methyl]-2,3-dimethylbutanenitrile is sourced from PubChem (CID 21336414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).