N'-hydroxy-2-[2-hydroxyethyl(propyl)amino]butanimidamide

C9H21N3O2 — CID 76915777

IUPACN'-hydroxy-2-[2-hydroxyethyl(propyl)amino]butanimidamide
SMILESCCCN(CCO)C(CC)C(N)=NO
InChIInChI=1S/C9H21N3O2/c1-3-5-12(6-7-13)8(4-2)9(10)11-14/h8,13-14H,3-7H2,1-2H3,(H2,10,11)
InChIKeyNPVHSCNUAFEAND-UHFFFAOYSA-N
MW203.29 g/mol
LogP0.22
Rot. Bonds7

About N'-hydroxy-2-[2-hydroxyethyl(propyl)amino]butanimidamide

N'-hydroxy-2-[2-hydroxyethyl(propyl)amino]butanimidamide (PubChem CID 76915777) has the molecular formula C9H21N3O2 and a molecular weight of 203.29 g/mol. Its IUPAC name is N'-hydroxy-2-[2-hydroxyethyl(propyl)amino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[2-hydroxyethyl(propyl)amino]butanimidamide
PubChem CID76915777
Molecular FormulaC9H21N3O2
Molecular Weight203.29 g/mol
Exact Mass203.16
IUPAC NameN'-hydroxy-2-[2-hydroxyethyl(propyl)amino]butanimidamide
SMILESCCCN(CCO)C(CC)C(N)=NO
InChIInChI=1S/C9H21N3O2/c1-3-5-12(6-7-13)8(4-2)9(10)11-14/h8,13-14H,3-7H2,1-2H3,(H2,10,11)
InChIKeyNPVHSCNUAFEAND-UHFFFAOYSA-N
XLogP0.22
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-hydroxy-2-[2-hydroxyethyl(propyl)amino]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

3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide
CID 107480136
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide
CID 107480149
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide
CID 107480156
N'-hydroxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]butanimidamide
CID 107480164
N'-hydroxy-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]butanimidamide
CID 107480175
N'-hydroxy-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanimidamide
CID 107480182
2-[2,2-Difluoroethyl(2-hydroxyethyl)amino]butanimidamide
CID 107480268
2-[2-Hydroxyethyl(2,2,2-trifluoroethyl)amino]butanimidamide
CID 107480296
N'-hydroxy-4-[4-(2-hydroxyethyl)piperazin-1-yl]butanimidamide
CID 43592113
N'-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]pentanimidamide
CID 43592116
N'-hydroxy-3-[2-methoxyethyl(3-methoxypropyl)amino]butanimidamide
CID 54985688
3-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide
CID 54993984

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[2-hydroxyethyl(propyl)amino]butanimidamide?
The IUPAC name of N'-hydroxy-2-[2-hydroxyethyl(propyl)amino]butanimidamide (CID 76915777) is N'-hydroxy-2-[2-hydroxyethyl(propyl)amino]butanimidamide.
What is the SMILES notation for N'-hydroxy-2-[2-hydroxyethyl(propyl)amino]butanimidamide?
The canonical SMILES for N'-hydroxy-2-[2-hydroxyethyl(propyl)amino]butanimidamide is CCCN(CCO)C(CC)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-[2-hydroxyethyl(propyl)amino]butanimidamide?
The InChIKey is NPVHSCNUAFEAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2/c1-3-5-12(6-7-13)8(4-2)9(10)11-14/h8,13-14H,3-7H2,1-2H3,(H2,10,11).
What are the key properties of N'-hydroxy-2-[2-hydroxyethyl(propyl)amino]butanimidamide?
N'-hydroxy-2-[2-hydroxyethyl(propyl)amino]butanimidamide has a molecular weight of 203.29 g/mol, XLogP of 0.22, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[2-hydroxyethyl(propyl)amino]butanimidamide is sourced from PubChem (CID 76915777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).