2-amino-N-(2-cyanoethyl)-N-methylbutanediamide

C8H14N4O2 — CID 60848278

IUPAC2-amino-N-(2-cyanoethyl)-N-methylbutanediamide
SMILESCN(CCC#N)C(=O)C(N)CC(N)=O
InChIInChI=1S/C8H14N4O2/c1-12(4-2-3-9)8(14)6(10)5-7(11)13/h6H,2,4-5,10H2,1H3,(H2,11,13)
InChIKeyAQJLEJGKZHVSCX-UHFFFAOYSA-N
MW198.23 g/mol
LogP-1.44
Rot. Bonds5

About 2-amino-N-(2-cyanoethyl)-N-methylbutanediamide

2-amino-N-(2-cyanoethyl)-N-methylbutanediamide (PubChem CID 60848278) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 2-amino-N-(2-cyanoethyl)-N-methylbutanediamide.

Molecular Properties

Compound Name2-amino-N-(2-cyanoethyl)-N-methylbutanediamide
PubChem CID60848278
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name2-amino-N-(2-cyanoethyl)-N-methylbutanediamide
SMILESCN(CCC#N)C(=O)C(N)CC(N)=O
InChIInChI=1S/C8H14N4O2/c1-12(4-2-3-9)8(14)6(10)5-7(11)13/h6H,2,4-5,10H2,1H3,(H2,11,13)
InChIKeyAQJLEJGKZHVSCX-UHFFFAOYSA-N
XLogP-1.44
TPSA113.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-1.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)butanediamide
CID 54873716
(2S)-2-amino-N-(2-cyanoethyl)-N,3-dimethylpentanamide
CID 61174046
2-[(2,4-diamino-4-oxobutanoyl)-methylamino]acetic acid
CID 61157104
2-amino-N-(cyclobutylmethyl)-N-methylbutanediamide
CID 62861520
N-(2-cyanoethyl)-N-methylcarbamoyl chloride
CID 54246845
3-[bis(2-amino-2-oxoethyl)amino]-N-(2-cyanoethyl)-N-methylpropanamide
CID 55157025
2-amino-N-[2-(ethylamino)-2-oxoethyl]-N-methylbutanediamide
CID 60963300
(2R)-2-amino-N,N-bis(2-cyanoethyl)-4-methylpentanamide
CID 93376202
2-amino-3-[2-cyanoethyl(methyl)amino]propanoic acid
CID 65444022
2-amino-N-(2-cyanoethyl)-3-(1H-indol-3-yl)-N-methylpropanamide
CID 76892125
N-(2-cyanoethyl)-2-hydroxy-N-methylacetamide
CID 43289856
N-(2-cyanoethyl)-N-methylpropanamide
CID 21036687

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-cyanoethyl)-N-methylbutanediamide?
The IUPAC name of 2-amino-N-(2-cyanoethyl)-N-methylbutanediamide (CID 60848278) is 2-amino-N-(2-cyanoethyl)-N-methylbutanediamide.
What is the SMILES notation for 2-amino-N-(2-cyanoethyl)-N-methylbutanediamide?
The canonical SMILES for 2-amino-N-(2-cyanoethyl)-N-methylbutanediamide is CN(CCC#N)C(=O)C(N)CC(N)=O.
What is the InChIKey of 2-amino-N-(2-cyanoethyl)-N-methylbutanediamide?
The InChIKey is AQJLEJGKZHVSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-12(4-2-3-9)8(14)6(10)5-7(11)13/h6H,2,4-5,10H2,1H3,(H2,11,13).
What are the key properties of 2-amino-N-(2-cyanoethyl)-N-methylbutanediamide?
2-amino-N-(2-cyanoethyl)-N-methylbutanediamide has a molecular weight of 198.23 g/mol, XLogP of -1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-cyanoethyl)-N-methylbutanediamide is sourced from PubChem (CID 60848278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).