2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)butanediamide

C11H20N4O2 — CID 54873716

IUPAC2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)butanediamide
SMILESCC(C)CN(CCC#N)C(=O)C(N)CC(N)=O
InChIInChI=1S/C11H20N4O2/c1-8(2)7-15(5-3-4-12)11(17)9(13)6-10(14)16/h8-9H,3,5-7,13H2,1-2H3,(H2,14,16)
InChIKeyHUWLVEMAGPGFHY-UHFFFAOYSA-N
MW240.31 g/mol
LogP-0.41
Rot. Bonds7

About 2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)butanediamide

2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)butanediamide (PubChem CID 54873716) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)butanediamide.

Molecular Properties

Compound Name2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)butanediamide
PubChem CID54873716
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)butanediamide
SMILESCC(C)CN(CCC#N)C(=O)C(N)CC(N)=O
InChIInChI=1S/C11H20N4O2/c1-8(2)7-15(5-3-4-12)11(17)9(13)6-10(14)16/h8-9H,3,5-7,13H2,1-2H3,(H2,14,16)
InChIKeyHUWLVEMAGPGFHY-UHFFFAOYSA-N
XLogP-0.41
TPSA113.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)propanamide
CID 60963440
(2R)-2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)propanamide
CID 78973558
(2S)-2-amino-N-(2-cyanoethyl)-3-methyl-N-(2-methylpropyl)butanamide
CID 61162671
2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)-4-methylsulfonylbutanamide
CID 54873679
2-amino-N-(2-cyanoethyl)-N-methylbutanediamide
CID 60848278
(2R)-2-amino-N,N-bis(2-cyanoethyl)-4-methylpentanamide
CID 93376202
(2R)-2-amino-N-(2-cyanoethyl)-3,3-dimethyl-N-(2-methylpropyl)butanamide
CID 103929355
benzyl (3S)-3-amino-4-[2-cyanoethyl(2-methylpropyl)amino]-4-oxobutanoate
CID 114274709
(2S)-2-amino-N-(2-cyanoethyl)-3-methyl-N-(2-methylpropyl)pentanamide
CID 61174632
N-(2-cyanoethyl)-N-(2-methylpropyl)-2-sulfanylpropanamide
CID 107026876
2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)-4-phenylbutanamide
CID 114926898
N-(2-cyanoethyl)-2-methyl-N-(2-methylpropyl)pentanamide
CID 60659959

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)butanediamide?
The IUPAC name of 2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)butanediamide (CID 54873716) is 2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)butanediamide.
What is the SMILES notation for 2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)butanediamide?
The canonical SMILES for 2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)butanediamide is CC(C)CN(CCC#N)C(=O)C(N)CC(N)=O.
What is the InChIKey of 2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)butanediamide?
The InChIKey is HUWLVEMAGPGFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-8(2)7-15(5-3-4-12)11(17)9(13)6-10(14)16/h8-9H,3,5-7,13H2,1-2H3,(H2,14,16).
What are the key properties of 2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)butanediamide?
2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)butanediamide has a molecular weight of 240.31 g/mol, XLogP of -0.41, 7 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-(2-methylpropyl)butanediamide is sourced from PubChem (CID 54873716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).