N'-hydroxy-3-[[4-(hydroxymethyl)oxan-4-yl]amino]propanimidamide

C9H19N3O3 — CID 106299253

IUPACN'-hydroxy-3-[[4-(hydroxymethyl)oxan-4-yl]amino]propanimidamide
SMILESNC(CCNC1(CO)CCOCC1)=NO
InChIInChI=1S/C9H19N3O3/c10-8(12-14)1-4-11-9(7-13)2-5-15-6-3-9/h11,13-14H,1-7H2,(H2,10,12)
InChIKeyHAMJSGPBKJKSSH-UHFFFAOYSA-N
MW217.27 g/mol
LogP-0.75
Rot. Bonds5

About N'-hydroxy-3-[[4-(hydroxymethyl)oxan-4-yl]amino]propanimidamide

N'-hydroxy-3-[[4-(hydroxymethyl)oxan-4-yl]amino]propanimidamide (PubChem CID 106299253) has the molecular formula C9H19N3O3 and a molecular weight of 217.27 g/mol. Its IUPAC name is N'-hydroxy-3-[[4-(hydroxymethyl)oxan-4-yl]amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[[4-(hydroxymethyl)oxan-4-yl]amino]propanimidamide
PubChem CID106299253
Molecular FormulaC9H19N3O3
Molecular Weight217.27 g/mol
Exact Mass217.14
IUPAC NameN'-hydroxy-3-[[4-(hydroxymethyl)oxan-4-yl]amino]propanimidamide
SMILESNC(CCNC1(CO)CCOCC1)=NO
InChIInChI=1S/C9H19N3O3/c10-8(12-14)1-4-11-9(7-13)2-5-15-6-3-9/h11,13-14H,1-7H2,(H2,10,12)
InChIKeyHAMJSGPBKJKSSH-UHFFFAOYSA-N
XLogP-0.75
TPSA100.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 5-0.75
H-Bond Donors ≤ 54
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'}

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Related Compounds

3,3,3-trifluoro-N'-hydroxy-2-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]propanimidamide
CID 106299226
3-N-(2-hydroxyethyl)-3-N'-methyl-1-N'-(4-methyloxan-4-yl)propanediimidamide
CID 123238034
N'-hydroxy-3-[3-(hydroxymethyl)pentan-3-ylamino]propanimidamide
CID 77027815
N'-hydroxy-3-[3-(hydroxymethyl)pentan-3-ylamino]-2-methylpropanimidamide
CID 77027816
N'-hydroxy-2-methyl-3-[(4-methyloxan-4-yl)amino]propanimidamide
CID 104866634
N'-hydroxy-4-[(4-methyloxan-4-yl)amino]butanimidamide
CID 104866636
N'-hydroxy-3-[(4-methyloxan-4-yl)amino]propanimidamide
CID 104866640
N'-hydroxy-3-[(1-hydroxy-3-methylpentan-3-yl)amino]propanimidamide
CID 106177152
N'-hydroxy-3-[(1-hydroxy-3-methylpentan-3-yl)amino]-2-methylpropanimidamide
CID 106177172
[4-(3-Aminopropylamino)oxan-4-yl]methanol
CID 106297046
N'-hydroxy-6-[[4-(hydroxymethyl)oxan-4-yl]amino]-2,2-dimethylhexanimidamide
CID 106299228
N'-hydroxy-3-[[4-(hydroxymethyl)oxan-4-yl]amino]butanimidamide
CID 106299233

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[[4-(hydroxymethyl)oxan-4-yl]amino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[[4-(hydroxymethyl)oxan-4-yl]amino]propanimidamide (CID 106299253) is N'-hydroxy-3-[[4-(hydroxymethyl)oxan-4-yl]amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[[4-(hydroxymethyl)oxan-4-yl]amino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[[4-(hydroxymethyl)oxan-4-yl]amino]propanimidamide is NC(CCNC1(CO)CCOCC1)=NO.
What is the InChIKey of N'-hydroxy-3-[[4-(hydroxymethyl)oxan-4-yl]amino]propanimidamide?
The InChIKey is HAMJSGPBKJKSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3/c10-8(12-14)1-4-11-9(7-13)2-5-15-6-3-9/h11,13-14H,1-7H2,(H2,10,12).
What are the key properties of N'-hydroxy-3-[[4-(hydroxymethyl)oxan-4-yl]amino]propanimidamide?
N'-hydroxy-3-[[4-(hydroxymethyl)oxan-4-yl]amino]propanimidamide has a molecular weight of 217.27 g/mol, XLogP of -0.75, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[[4-(hydroxymethyl)oxan-4-yl]amino]propanimidamide is sourced from PubChem (CID 106299253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).