N'-hydroxy-2-methyl-3-(oxan-4-ylamino)propanimidamide

C9H19N3O2 — CID 77028829

IUPACN'-hydroxy-2-methyl-3-(oxan-4-ylamino)propanimidamide
SMILESCC(CNC1CCOCC1)C(N)=NO
InChIInChI=1S/C9H19N3O2/c1-7(9(10)12-13)6-11-8-2-4-14-5-3-8/h7-8,11,13H,2-6H2,1H3,(H2,10,12)
InChIKeyRWJASWMIPHCJOF-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.14
Rot. Bonds4

About N'-hydroxy-2-methyl-3-(oxan-4-ylamino)propanimidamide

N'-hydroxy-2-methyl-3-(oxan-4-ylamino)propanimidamide (PubChem CID 77028829) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-3-(oxan-4-ylamino)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-3-(oxan-4-ylamino)propanimidamide
PubChem CID77028829
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC NameN'-hydroxy-2-methyl-3-(oxan-4-ylamino)propanimidamide
SMILESCC(CNC1CCOCC1)C(N)=NO
InChIInChI=1S/C9H19N3O2/c1-7(9(10)12-13)6-11-8-2-4-14-5-3-8/h7-8,11,13H,2-6H2,1H3,(H2,10,12)
InChIKeyRWJASWMIPHCJOF-UHFFFAOYSA-N
XLogP0.14
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.14
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-methyl-3-(oxan-4-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-(2-methylpropyl)oxan-4-amine;molecular hydrogen
CID 156813143
N'-hydroxy-2-methyl-3-(oxan-4-yloxy)propanimidamide
CID 114987791
N'-hydroxy-2-methyl-3-[(2-methylcyclopentyl)amino]propanimidamide
CID 77028700
N'-hydroxy-2-methyl-3-[(4-methyloxan-4-yl)amino]propanimidamide
CID 104866634
N-(3-amino-3-hydroxyimino-2-methylpropyl)oxane-3-carboxamide
CID 76982084
3-[[(1R)-1-cyclopentylethyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 81390297
3-[(2-ethylcyclohexyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 77030866
N-(2-methylbutyl)oxan-4-amine
CID 43609665
N-methyl-N'-(oxan-4-yl)-2-propan-2-ylpropane-1,3-diamine
CID 115252718
3-[[(1S)-1-cycloheptylethyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 81391679
N-[(3S)-3-bromo-2-methylbutyl]oxan-4-amine
CID 147170571
3-(1-cyclopropylpropan-2-ylamino)-N'-hydroxy-2-methylpropanimidamide
CID 77028693

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methyl-3-(oxan-4-ylamino)propanimidamide?
The IUPAC name of N'-hydroxy-2-methyl-3-(oxan-4-ylamino)propanimidamide (CID 77028829) is N'-hydroxy-2-methyl-3-(oxan-4-ylamino)propanimidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-3-(oxan-4-ylamino)propanimidamide?
The canonical SMILES for N'-hydroxy-2-methyl-3-(oxan-4-ylamino)propanimidamide is CC(CNC1CCOCC1)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-methyl-3-(oxan-4-ylamino)propanimidamide?
The InChIKey is RWJASWMIPHCJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-7(9(10)12-13)6-11-8-2-4-14-5-3-8/h7-8,11,13H,2-6H2,1H3,(H2,10,12).
What are the key properties of N'-hydroxy-2-methyl-3-(oxan-4-ylamino)propanimidamide?
N'-hydroxy-2-methyl-3-(oxan-4-ylamino)propanimidamide has a molecular weight of 201.27 g/mol, XLogP of 0.14, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-3-(oxan-4-ylamino)propanimidamide is sourced from PubChem (CID 77028829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).