N'-hydroxy-3-(oxolan-3-ylmethylamino)propanimidamide

C8H17N3O2 — CID 77032251

IUPACN'-hydroxy-3-(oxolan-3-ylmethylamino)propanimidamide
SMILESNC(CCNCC1CCOC1)=NO
InChIInChI=1S/C8H17N3O2/c9-8(11-12)1-3-10-5-7-2-4-13-6-7/h7,10,12H,1-6H2,(H2,9,11)
InChIKeyZSJSGWMIFAVJPV-UHFFFAOYSA-N
MW187.24 g/mol
LogP-0.25
Rot. Bonds5

About N'-hydroxy-3-(oxolan-3-ylmethylamino)propanimidamide

N'-hydroxy-3-(oxolan-3-ylmethylamino)propanimidamide (PubChem CID 77032251) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is N'-hydroxy-3-(oxolan-3-ylmethylamino)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(oxolan-3-ylmethylamino)propanimidamide
PubChem CID77032251
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC NameN'-hydroxy-3-(oxolan-3-ylmethylamino)propanimidamide
SMILESNC(CCNCC1CCOC1)=NO
InChIInChI=1S/C8H17N3O2/c9-8(11-12)1-3-10-5-7-2-4-13-6-7/h7,10,12H,1-6H2,(H2,9,11)
InChIKeyZSJSGWMIFAVJPV-UHFFFAOYSA-N
XLogP-0.25
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(oxolan-3-ylmethylamino)propanimidamide?
The IUPAC name of N'-hydroxy-3-(oxolan-3-ylmethylamino)propanimidamide (CID 77032251) is N'-hydroxy-3-(oxolan-3-ylmethylamino)propanimidamide.
What is the SMILES notation for N'-hydroxy-3-(oxolan-3-ylmethylamino)propanimidamide?
The canonical SMILES for N'-hydroxy-3-(oxolan-3-ylmethylamino)propanimidamide is NC(CCNCC1CCOC1)=NO.
What is the InChIKey of N'-hydroxy-3-(oxolan-3-ylmethylamino)propanimidamide?
The InChIKey is ZSJSGWMIFAVJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c9-8(11-12)1-3-10-5-7-2-4-13-6-7/h7,10,12H,1-6H2,(H2,9,11).
What are the key properties of N'-hydroxy-3-(oxolan-3-ylmethylamino)propanimidamide?
N'-hydroxy-3-(oxolan-3-ylmethylamino)propanimidamide has a molecular weight of 187.24 g/mol, XLogP of -0.25, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(oxolan-3-ylmethylamino)propanimidamide is sourced from PubChem (CID 77032251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).