2-methyl-N'-(3-oxobutyl)butanimidamide

C9H18N2O — CID 123371036

IUPAC2-methyl-N'-(3-oxobutyl)butanimidamide
SMILESCCC(C)/C(N)=N/CCC(C)=O
InChIInChI=1S/C9H18N2O/c1-4-7(2)9(10)11-6-5-8(3)12/h7H,4-6H2,1-3H3,(H2,10,11)
InChIKeyKAWTUPMPAYYZON-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.37
Rot. Bonds5

About 2-methyl-N'-(3-oxobutyl)butanimidamide

2-methyl-N'-(3-oxobutyl)butanimidamide (PubChem CID 123371036) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 2-methyl-N'-(3-oxobutyl)butanimidamide.

Molecular Properties

Compound Name2-methyl-N'-(3-oxobutyl)butanimidamide
PubChem CID123371036
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name2-methyl-N'-(3-oxobutyl)butanimidamide
SMILESCCC(C)/C(N)=N/CCC(C)=O
InChIInChI=1S/C9H18N2O/c1-4-7(2)9(10)11-6-5-8(3)12/h7H,4-6H2,1-3H3,(H2,10,11)
InChIKeyKAWTUPMPAYYZON-UHFFFAOYSA-N
XLogP1.37
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-N'-(3-oxobutyl)butanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-methyl-3-oxobutanimidamide
CID 45085044
N'-(3,3-dimethyl-2-oxobutyl)ethanimidamide
CID 58079207
2-(N'-propylcarbamimidoyl)butanamide
CID 87476604
3-Amino-3-butylimino-2-methylpropanamide
CID 87595154
N'-(3-methyl-2-oxobutyl)ethanimidamide
CID 88993233
2-methyl-N'-(3-oxopentyl)butanimidamide
CID 90692878
N'-(4-amino-3-oxopentyl)-2-methylbutanimidamide
CID 90867301
N'-(3-oxopentyl)propanimidamide
CID 91186372
N'-(4-methyl-3-oxohexyl)ethanimidamide
CID 121478455
N'-(2-amino-3-oxobutyl)-2-methylbutanimidamide
CID 123669719
N'-(2,2-dimethyl-3-oxobutyl)ethanimidamide
CID 123778640
2-methyl-N'-(4-oxohexyl)propanimidamide
CID 123806153

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-(3-oxobutyl)butanimidamide?
The IUPAC name of 2-methyl-N'-(3-oxobutyl)butanimidamide (CID 123371036) is 2-methyl-N'-(3-oxobutyl)butanimidamide.
What is the SMILES notation for 2-methyl-N'-(3-oxobutyl)butanimidamide?
The canonical SMILES for 2-methyl-N'-(3-oxobutyl)butanimidamide is CCC(C)/C(N)=N/CCC(C)=O.
What is the InChIKey of 2-methyl-N'-(3-oxobutyl)butanimidamide?
The InChIKey is KAWTUPMPAYYZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-4-7(2)9(10)11-6-5-8(3)12/h7H,4-6H2,1-3H3,(H2,10,11).
What are the key properties of 2-methyl-N'-(3-oxobutyl)butanimidamide?
2-methyl-N'-(3-oxobutyl)butanimidamide has a molecular weight of 170.26 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-(3-oxobutyl)butanimidamide is sourced from PubChem (CID 123371036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).