2-amino-N-(2-methylbutyl)butanediamide

C9H19N3O2 — CID 62692665

IUPAC2-amino-N-(2-methylbutyl)butanediamide
SMILESCCC(C)CNC(=O)C(N)CC(N)=O
InChIInChI=1S/C9H19N3O2/c1-3-6(2)5-12-9(14)7(10)4-8(11)13/h6-7H,3-5,10H2,1-2H3,(H2,11,13)(H,12,14)
InChIKeyFTXOMMAFMYJUBX-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.65
Rot. Bonds6

About 2-amino-N-(2-methylbutyl)butanediamide

2-amino-N-(2-methylbutyl)butanediamide (PubChem CID 62692665) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-amino-N-(2-methylbutyl)butanediamide.

Molecular Properties

Compound Name2-amino-N-(2-methylbutyl)butanediamide
PubChem CID62692665
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name2-amino-N-(2-methylbutyl)butanediamide
SMILESCCC(C)CNC(=O)C(N)CC(N)=O
InChIInChI=1S/C9H19N3O2/c1-3-6(2)5-12-9(14)7(10)4-8(11)13/h6-7H,3-5,10H2,1-2H3,(H2,11,13)(H,12,14)
InChIKeyFTXOMMAFMYJUBX-UHFFFAOYSA-N
XLogP-0.65
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2,4-diamino-4-oxobutanoyl)amino]methyl]butanoic acid
CID 65224539
(2S)-2-amino-N-(2-methylbutyl)propanamide
CID 59620908
2-amino-N-(2,2-dihydroxyethyl)butanediamide
CID 154111575
2-[[(2,4-diamino-4-oxobutanoyl)amino]methyl]-3-methylbutanoic acid
CID 65224533
(2R)-2-amino-N-(2-methylbutyl)-4-methylsulfanylbutanamide
CID 104908379
2-methylbutylurea
CID 22179633
(2S)-2-methyl-N-(2-methylbutyl)butanamide;2-methyl-N-[(2S)-2-methylbutyl]butanamide;(2S)-2-methyl-N-[(2S)-2-methylbutyl]butanamide
CID 167576968
2-amino-N-(3-hydroxybutyl)butanediamide
CID 64912890
2-amino-3-methyl-N-(2-methylbutyl)pentanamide
CID 62693739
3-[(2,4-diamino-4-oxobutanoyl)amino]-2-hydroxypropanoic acid
CID 66168013
2-amino-N-(2-methylbutyl)-3-phenylpropanamide
CID 55108121
2-amino-4-hydroxy-5-(2-methylbutylamino)-5-oxopentanoic acid
CID 162915431

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-methylbutyl)butanediamide?
The IUPAC name of 2-amino-N-(2-methylbutyl)butanediamide (CID 62692665) is 2-amino-N-(2-methylbutyl)butanediamide.
What is the SMILES notation for 2-amino-N-(2-methylbutyl)butanediamide?
The canonical SMILES for 2-amino-N-(2-methylbutyl)butanediamide is CCC(C)CNC(=O)C(N)CC(N)=O.
What is the InChIKey of 2-amino-N-(2-methylbutyl)butanediamide?
The InChIKey is FTXOMMAFMYJUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-3-6(2)5-12-9(14)7(10)4-8(11)13/h6-7H,3-5,10H2,1-2H3,(H2,11,13)(H,12,14).
What are the key properties of 2-amino-N-(2-methylbutyl)butanediamide?
2-amino-N-(2-methylbutyl)butanediamide has a molecular weight of 201.27 g/mol, XLogP of -0.65, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-methylbutyl)butanediamide is sourced from PubChem (CID 62692665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).