N'-hydroxy-3-[(1-methylimidazol-2-yl)-propan-2-ylamino]propanimidamide

C10H19N5O — CID 76936484

IUPACN'-hydroxy-3-[(1-methylimidazol-2-yl)-propan-2-ylamino]propanimidamide
SMILESCC(C)N(CCC(N)=NO)c1nccn1C
InChIInChI=1S/C10H19N5O/c1-8(2)15(6-4-9(11)13-16)10-12-5-7-14(10)3/h5,7-8,16H,4,6H2,1-3H3,(H2,11,13)
InChIKeyFNZWWYRXIRYBTC-UHFFFAOYSA-N
MW225.30 g/mol
LogP0.77
Rot. Bonds5

About N'-hydroxy-3-[(1-methylimidazol-2-yl)-propan-2-ylamino]propanimidamide

N'-hydroxy-3-[(1-methylimidazol-2-yl)-propan-2-ylamino]propanimidamide (PubChem CID 76936484) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is N'-hydroxy-3-[(1-methylimidazol-2-yl)-propan-2-ylamino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[(1-methylimidazol-2-yl)-propan-2-ylamino]propanimidamide
PubChem CID76936484
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC NameN'-hydroxy-3-[(1-methylimidazol-2-yl)-propan-2-ylamino]propanimidamide
SMILESCC(C)N(CCC(N)=NO)c1nccn1C
InChIInChI=1S/C10H19N5O/c1-8(2)15(6-4-9(11)13-16)10-12-5-7-14(10)3/h5,7-8,16H,4,6H2,1-3H3,(H2,11,13)
InChIKeyFNZWWYRXIRYBTC-UHFFFAOYSA-N
XLogP0.77
TPSA79.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-3-[(1-methylimidazol-2-yl)-propan-2-ylamino]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

N'-hydroxy-3-[propan-2-yl([1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]propanimidamide
CID 77024887
N'-hydroxy-3-[(4-methylpyrimidin-2-yl)-propan-2-ylamino]propanimidamide
CID 55152105
N-(3-chloropropyl)-1-methyl-N-propan-2-ylimidazol-2-amine
CID 63388587
N'-hydroxy-3-[2-(1-methylimidazol-2-yl)ethyl-(2-methylpropyl)amino]propanimidamide
CID 114528083
N'-hydroxy-3-[(4-methyl-3-oxopyrazin-2-yl)-(2-methylpropyl)amino]propanimidamide
CID 76981244
3-[ethyl-(1-methylimidazol-2-yl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 76936481
3-[(5-bromoisoquinolin-1-yl)-propan-2-ylamino]-N'-hydroxypropanimidamide
CID 106537048
N'-hydroxy-3-(N-(4-methyl-3-oxopyrazin-2-yl)anilino)propanimidamide
CID 76981236
3-[(7-chloroquinolin-4-yl)-propan-2-ylamino]-N'-hydroxypropanimidamide
CID 76911583
N'-hydroxy-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanimidamide
CID 76982036
2-[(1-methylimidazol-2-yl)-pentan-3-ylamino]ethanol
CID 62131662
3-[(4-cyclopropyl-3-oxopyrazin-2-yl)-(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 76981233

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[(1-methylimidazol-2-yl)-propan-2-ylamino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[(1-methylimidazol-2-yl)-propan-2-ylamino]propanimidamide (CID 76936484) is N'-hydroxy-3-[(1-methylimidazol-2-yl)-propan-2-ylamino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[(1-methylimidazol-2-yl)-propan-2-ylamino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[(1-methylimidazol-2-yl)-propan-2-ylamino]propanimidamide is CC(C)N(CCC(N)=NO)c1nccn1C.
What is the InChIKey of N'-hydroxy-3-[(1-methylimidazol-2-yl)-propan-2-ylamino]propanimidamide?
The InChIKey is FNZWWYRXIRYBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-8(2)15(6-4-9(11)13-16)10-12-5-7-14(10)3/h5,7-8,16H,4,6H2,1-3H3,(H2,11,13).
What are the key properties of N'-hydroxy-3-[(1-methylimidazol-2-yl)-propan-2-ylamino]propanimidamide?
N'-hydroxy-3-[(1-methylimidazol-2-yl)-propan-2-ylamino]propanimidamide has a molecular weight of 225.30 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[(1-methylimidazol-2-yl)-propan-2-ylamino]propanimidamide is sourced from PubChem (CID 76936484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).