N'-methyl-N-[2-methyl-1-(3-oxobutylamino)propan-2-yl]ethanimidamide

C11H23N3O — CID 156569185

IUPACN'-methyl-N-[2-methyl-1-(3-oxobutylamino)propan-2-yl]ethanimidamide
SMILESC/N=C(\C)NC(C)(C)CNCCC(C)=O
InChIInChI=1S/C11H23N3O/c1-9(15)6-7-13-8-11(3,4)14-10(2)12-5/h13H,6-8H2,1-5H3,(H,12,14)
InChIKeyYHKVHUKLBBAVCW-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.97
Rot. Bonds6

About N'-methyl-N-[2-methyl-1-(3-oxobutylamino)propan-2-yl]ethanimidamide

N'-methyl-N-[2-methyl-1-(3-oxobutylamino)propan-2-yl]ethanimidamide (PubChem CID 156569185) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is N'-methyl-N-[2-methyl-1-(3-oxobutylamino)propan-2-yl]ethanimidamide.

Molecular Properties

Compound NameN'-methyl-N-[2-methyl-1-(3-oxobutylamino)propan-2-yl]ethanimidamide
PubChem CID156569185
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC NameN'-methyl-N-[2-methyl-1-(3-oxobutylamino)propan-2-yl]ethanimidamide
SMILESC/N=C(\C)NC(C)(C)CNCCC(C)=O
InChIInChI=1S/C11H23N3O/c1-9(15)6-7-13-8-11(3,4)14-10(2)12-5/h13H,6-8H2,1-5H3,(H,12,14)
InChIKeyYHKVHUKLBBAVCW-UHFFFAOYSA-N
XLogP0.97
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-methyl-N-[2-methyl-1-(3-oxobutylamino)propan-2-yl]ethanimidamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[2-methyl-1-(3-oxobutylamino)propan-2-yl]ethanimidamide?
The IUPAC name of N'-methyl-N-[2-methyl-1-(3-oxobutylamino)propan-2-yl]ethanimidamide (CID 156569185) is N'-methyl-N-[2-methyl-1-(3-oxobutylamino)propan-2-yl]ethanimidamide.
What is the SMILES notation for N'-methyl-N-[2-methyl-1-(3-oxobutylamino)propan-2-yl]ethanimidamide?
The canonical SMILES for N'-methyl-N-[2-methyl-1-(3-oxobutylamino)propan-2-yl]ethanimidamide is C/N=C(\C)NC(C)(C)CNCCC(C)=O.
What is the InChIKey of N'-methyl-N-[2-methyl-1-(3-oxobutylamino)propan-2-yl]ethanimidamide?
The InChIKey is YHKVHUKLBBAVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-9(15)6-7-13-8-11(3,4)14-10(2)12-5/h13H,6-8H2,1-5H3,(H,12,14).
What are the key properties of N'-methyl-N-[2-methyl-1-(3-oxobutylamino)propan-2-yl]ethanimidamide?
N'-methyl-N-[2-methyl-1-(3-oxobutylamino)propan-2-yl]ethanimidamide has a molecular weight of 213.32 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[2-methyl-1-(3-oxobutylamino)propan-2-yl]ethanimidamide is sourced from PubChem (CID 156569185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).