2-[cyclobutyl(2-hydroxyethyl)amino]propanimidamide

C9H19N3O — CID 102863096

IUPAC2-[cyclobutyl(2-hydroxyethyl)amino]propanimidamide
SMILES[H]/N=C(\N)C(C)N(CCO)C1CCC1
InChIInChI=1S/C9H19N3O/c1-7(9(10)11)12(5-6-13)8-3-2-4-8/h7-8,13H,2-6H2,1H3,(H3,10,11)
InChIKeyIKKVCXUKBFQQOG-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.16
Rot. Bonds5

About 2-[cyclobutyl(2-hydroxyethyl)amino]propanimidamide

2-[cyclobutyl(2-hydroxyethyl)amino]propanimidamide (PubChem CID 102863096) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-[cyclobutyl(2-hydroxyethyl)amino]propanimidamide.

Molecular Properties

Compound Name2-[cyclobutyl(2-hydroxyethyl)amino]propanimidamide
PubChem CID102863096
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name2-[cyclobutyl(2-hydroxyethyl)amino]propanimidamide
SMILES[H]/N=C(\N)C(C)N(CCO)C1CCC1
InChIInChI=1S/C9H19N3O/c1-7(9(10)11)12(5-6-13)8-3-2-4-8/h7-8,13H,2-6H2,1H3,(H3,10,11)
InChIKeyIKKVCXUKBFQQOG-UHFFFAOYSA-N
XLogP0.16
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[cyclobutyl(2-hydroxyethyl)amino]propanimidamide 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

2-[cyclopentyl(propan-2-yl)amino]ethanol
CID 62020033
3-[cyclohexyl(2-hydroxyethyl)amino]pentanimidamide
CID 54994326
2-[cyclobutyl(3-hydroxypropyl)amino]propanamide
CID 102858549
3-[cyclobutyl(2-hydroxyethyl)amino]butanethioamide
CID 102862712
1-[cyclohexyl(2-hydroxyethyl)amino]ethanol
CID 174488564
tert-butyl 2-[cyclopentyl(2-hydroxyethyl)amino]propanoate
CID 66339425
tert-butyl 2-[cyclohexyl(2-hydroxyethyl)amino]propanoate
CID 66339424
2-[cyclobutyl(2-hydroxyethyl)amino]-N-(methylcarbamoyl)propanamide
CID 102870196
3-[cyclopentyl(2-hydroxyethyl)amino]-3-phenylpropanimidamide
CID 62779762
2-[cyclohexyl(pentan-2-yl)amino]ethanol
CID 107886016
2-[cyclobutyl(2-hydroxyethyl)amino]-1-morpholin-4-ylpropan-1-one
CID 102870010
2-[cyclopentyl(2-hydroxyethyl)amino]-N-pentylpropanamide
CID 62016618

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutyl(2-hydroxyethyl)amino]propanimidamide?
The IUPAC name of 2-[cyclobutyl(2-hydroxyethyl)amino]propanimidamide (CID 102863096) is 2-[cyclobutyl(2-hydroxyethyl)amino]propanimidamide.
What is the SMILES notation for 2-[cyclobutyl(2-hydroxyethyl)amino]propanimidamide?
The canonical SMILES for 2-[cyclobutyl(2-hydroxyethyl)amino]propanimidamide is [H]/N=C(\N)C(C)N(CCO)C1CCC1.
What is the InChIKey of 2-[cyclobutyl(2-hydroxyethyl)amino]propanimidamide?
The InChIKey is IKKVCXUKBFQQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-7(9(10)11)12(5-6-13)8-3-2-4-8/h7-8,13H,2-6H2,1H3,(H3,10,11).
What are the key properties of 2-[cyclobutyl(2-hydroxyethyl)amino]propanimidamide?
2-[cyclobutyl(2-hydroxyethyl)amino]propanimidamide has a molecular weight of 185.27 g/mol, XLogP of 0.16, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutyl(2-hydroxyethyl)amino]propanimidamide is sourced from PubChem (CID 102863096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).