N'-hydroxy-3-[(2-hydroxycyclohexyl)amino]propanimidamide

C9H19N3O2 — CID 77029912

IUPACN'-hydroxy-3-[(2-hydroxycyclohexyl)amino]propanimidamide
SMILESNC(CCNC1CCCCC1O)=NO
InChIInChI=1S/C9H19N3O2/c10-9(12-14)5-6-11-7-3-1-2-4-8(7)13/h7-8,11,13-14H,1-6H2,(H2,10,12)
InChIKeyWKEBLPPZDFHYDZ-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.02
Rot. Bonds4

About N'-hydroxy-3-[(2-hydroxycyclohexyl)amino]propanimidamide

N'-hydroxy-3-[(2-hydroxycyclohexyl)amino]propanimidamide (PubChem CID 77029912) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is N'-hydroxy-3-[(2-hydroxycyclohexyl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[(2-hydroxycyclohexyl)amino]propanimidamide
PubChem CID77029912
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC NameN'-hydroxy-3-[(2-hydroxycyclohexyl)amino]propanimidamide
SMILESNC(CCNC1CCCCC1O)=NO
InChIInChI=1S/C9H19N3O2/c10-9(12-14)5-6-11-7-3-1-2-4-8(7)13/h7-8,11,13-14H,1-6H2,(H2,10,12)
InChIKeyWKEBLPPZDFHYDZ-UHFFFAOYSA-N
XLogP0.02
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.02
H-Bond Donors ≤ 54
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[(2-hydroxycyclohexyl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[(2-hydroxycyclohexyl)amino]propanimidamide (CID 77029912) is N'-hydroxy-3-[(2-hydroxycyclohexyl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[(2-hydroxycyclohexyl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[(2-hydroxycyclohexyl)amino]propanimidamide is NC(CCNC1CCCCC1O)=NO.
What is the InChIKey of N'-hydroxy-3-[(2-hydroxycyclohexyl)amino]propanimidamide?
The InChIKey is WKEBLPPZDFHYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c10-9(12-14)5-6-11-7-3-1-2-4-8(7)13/h7-8,11,13-14H,1-6H2,(H2,10,12).
What are the key properties of N'-hydroxy-3-[(2-hydroxycyclohexyl)amino]propanimidamide?
N'-hydroxy-3-[(2-hydroxycyclohexyl)amino]propanimidamide has a molecular weight of 201.27 g/mol, XLogP of 0.02, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[(2-hydroxycyclohexyl)amino]propanimidamide is sourced from PubChem (CID 77029912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).