N'-(2-amino-3-oxobutyl)-2-methylbutanimidamide

C9H19N3O — CID 123669719

IUPACN'-(2-amino-3-oxobutyl)-2-methylbutanimidamide
SMILESCCC(C)/C(N)=N/CC(N)C(C)=O
InChIInChI=1S/C9H19N3O/c1-4-6(2)9(11)12-5-8(10)7(3)13/h6,8H,4-5,10H2,1-3H3,(H2,11,12)
InChIKeyOWRRJIQOKFKCHU-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.31
Rot. Bonds5

About N'-(2-amino-3-oxobutyl)-2-methylbutanimidamide

N'-(2-amino-3-oxobutyl)-2-methylbutanimidamide (PubChem CID 123669719) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is N'-(2-amino-3-oxobutyl)-2-methylbutanimidamide.

Molecular Properties

Compound NameN'-(2-amino-3-oxobutyl)-2-methylbutanimidamide
PubChem CID123669719
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC NameN'-(2-amino-3-oxobutyl)-2-methylbutanimidamide
SMILESCCC(C)/C(N)=N/CC(N)C(C)=O
InChIInChI=1S/C9H19N3O/c1-4-6(2)9(11)12-5-8(10)7(3)13/h6,8H,4-5,10H2,1-3H3,(H2,11,12)
InChIKeyOWRRJIQOKFKCHU-UHFFFAOYSA-N
XLogP0.31
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N'-(3-oxopentyl)butanimidamide
CID 90692878
N'-(4-amino-3-oxopentyl)-2-methylbutanimidamide
CID 90867301
2-methyl-N'-(3-oxobutyl)butanimidamide
CID 123371036
N'-(4-amino-5-oxohexyl)-2-methylbutanimidamide
CID 123946366
2-amino-3-methyl-N'-(1-oxopropan-2-yl)butanimidamide
CID 146385188
N'-[(2S)-2-amino-4-methyl-3-oxopentyl]ethanimidamide
CID 148090153
2-amino-3-methyl-N'-(3-oxobutan-2-yl)butanimidamide
CID 156255764
N'-(2-amino-4,4-dimethyl-3-oxopentyl)ethanimidamide
CID 157393213
2-[(1-Amino-2-methylpropylidene)amino]-3-methylbutanamide
CID 106347301
2-(1-Aminopropylideneamino)-3-methylbutanamide
CID 106347302
2-(1-Aminobutylideneamino)-3-methylbutanamide
CID 106347303
2-methyl-N'-[2-methyl-1-(methylamino)-3-oxobutan-2-yl]butanimidamide
CID 145461226

Frequently Asked Questions

What is the IUPAC name of N'-(2-amino-3-oxobutyl)-2-methylbutanimidamide?
The IUPAC name of N'-(2-amino-3-oxobutyl)-2-methylbutanimidamide (CID 123669719) is N'-(2-amino-3-oxobutyl)-2-methylbutanimidamide.
What is the SMILES notation for N'-(2-amino-3-oxobutyl)-2-methylbutanimidamide?
The canonical SMILES for N'-(2-amino-3-oxobutyl)-2-methylbutanimidamide is CCC(C)/C(N)=N/CC(N)C(C)=O.
What is the InChIKey of N'-(2-amino-3-oxobutyl)-2-methylbutanimidamide?
The InChIKey is OWRRJIQOKFKCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-4-6(2)9(11)12-5-8(10)7(3)13/h6,8H,4-5,10H2,1-3H3,(H2,11,12).
What are the key properties of N'-(2-amino-3-oxobutyl)-2-methylbutanimidamide?
N'-(2-amino-3-oxobutyl)-2-methylbutanimidamide has a molecular weight of 185.27 g/mol, XLogP of 0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-amino-3-oxobutyl)-2-methylbutanimidamide is sourced from PubChem (CID 123669719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).