N'-(2-amino-4,4-dimethyl-3-oxopentyl)ethanimidamide

C9H19N3O — CID 157393213

IUPACN'-(2-amino-4,4-dimethyl-3-oxopentyl)ethanimidamide
SMILESC/C(N)=N\CC(N)C(=O)C(C)(C)C
InChIInChI=1S/C9H19N3O/c1-6(10)12-5-7(11)8(13)9(2,3)4/h7H,5,11H2,1-4H3,(H2,10,12)
InChIKeyBMGKTPKAWUWTRV-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.31
Rot. Bonds3

About N'-(2-amino-4,4-dimethyl-3-oxopentyl)ethanimidamide

N'-(2-amino-4,4-dimethyl-3-oxopentyl)ethanimidamide (PubChem CID 157393213) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is N'-(2-amino-4,4-dimethyl-3-oxopentyl)ethanimidamide.

Molecular Properties

Compound NameN'-(2-amino-4,4-dimethyl-3-oxopentyl)ethanimidamide
PubChem CID157393213
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC NameN'-(2-amino-4,4-dimethyl-3-oxopentyl)ethanimidamide
SMILESC/C(N)=N\CC(N)C(=O)C(C)(C)C
InChIInChI=1S/C9H19N3O/c1-6(10)12-5-7(11)8(13)9(2,3)4/h7H,5,11H2,1-4H3,(H2,10,12)
InChIKeyBMGKTPKAWUWTRV-UHFFFAOYSA-N
XLogP0.31
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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'}

Analyze N'-(2-amino-4,4-dimethyl-3-oxopentyl)ethanimidamide 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'-(4-amino-3-oxopentyl)-2-methylbutanimidamide
CID 90867301
N'-(3-amino-3-methyl-4-oxohexan-2-yl)ethanimidamide
CID 91527527
N'-(2-amino-3-oxobutyl)-2-methylbutanimidamide
CID 123669719
2-(2-Amino-4-methyl-3-oxopentyl)guanidine;ethane
CID 143997249
2-[(2R)-2-amino-4-methyl-3-oxopentyl]guanidine;ethane
CID 144149030
2-(2-Amino-4,4-dimethyl-3-oxopentyl)guanidine
CID 147407401
N'-[(2S)-2-amino-4-methyl-3-oxopentyl]ethanimidamide
CID 148090153
2-[(2R)-2-amino-4,4-dimethyl-3-oxopentyl]guanidine
CID 156662461
N'-(2-amino-4-methyl-3-oxopentyl)ethanimidamide
CID 159276876

Frequently Asked Questions

What is the IUPAC name of N'-(2-amino-4,4-dimethyl-3-oxopentyl)ethanimidamide?
The IUPAC name of N'-(2-amino-4,4-dimethyl-3-oxopentyl)ethanimidamide (CID 157393213) is N'-(2-amino-4,4-dimethyl-3-oxopentyl)ethanimidamide.
What is the SMILES notation for N'-(2-amino-4,4-dimethyl-3-oxopentyl)ethanimidamide?
The canonical SMILES for N'-(2-amino-4,4-dimethyl-3-oxopentyl)ethanimidamide is C/C(N)=N\CC(N)C(=O)C(C)(C)C.
What is the InChIKey of N'-(2-amino-4,4-dimethyl-3-oxopentyl)ethanimidamide?
The InChIKey is BMGKTPKAWUWTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-6(10)12-5-7(11)8(13)9(2,3)4/h7H,5,11H2,1-4H3,(H2,10,12).
What are the key properties of N'-(2-amino-4,4-dimethyl-3-oxopentyl)ethanimidamide?
N'-(2-amino-4,4-dimethyl-3-oxopentyl)ethanimidamide has a molecular weight of 185.27 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-amino-4,4-dimethyl-3-oxopentyl)ethanimidamide is sourced from PubChem (CID 157393213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).