N'-hydroxy-2-[[2-(hydroxymethyl)cyclohexyl]methylamino]ethanimidamide

C10H21N3O2 — CID 77104696

IUPACN'-hydroxy-2-[[2-(hydroxymethyl)cyclohexyl]methylamino]ethanimidamide
SMILESNC(CNCC1CCCCC1CO)=NO
InChIInChI=1S/C10H21N3O2/c11-10(13-15)6-12-5-8-3-1-2-4-9(8)7-14/h8-9,12,14-15H,1-7H2,(H2,11,13)
InChIKeyYIKHFYHDNSUECE-UHFFFAOYSA-N
MW215.30 g/mol
LogP0.12
Rot. Bonds5

About N'-hydroxy-2-[[2-(hydroxymethyl)cyclohexyl]methylamino]ethanimidamide

N'-hydroxy-2-[[2-(hydroxymethyl)cyclohexyl]methylamino]ethanimidamide (PubChem CID 77104696) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is N'-hydroxy-2-[[2-(hydroxymethyl)cyclohexyl]methylamino]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[[2-(hydroxymethyl)cyclohexyl]methylamino]ethanimidamide
PubChem CID77104696
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC NameN'-hydroxy-2-[[2-(hydroxymethyl)cyclohexyl]methylamino]ethanimidamide
SMILESNC(CNCC1CCCCC1CO)=NO
InChIInChI=1S/C10H21N3O2/c11-10(13-15)6-12-5-8-3-1-2-4-9(8)7-14/h8-9,12,14-15H,1-7H2,(H2,11,13)
InChIKeyYIKHFYHDNSUECE-UHFFFAOYSA-N
XLogP0.12
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 50.12
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-2-[[2-(hydroxymethyl)cyclohexyl]methylamino]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[[2-(hydroxymethyl)cyclohexyl]methylamino]ethanimidamide (CID 77104696) is N'-hydroxy-2-[[2-(hydroxymethyl)cyclohexyl]methylamino]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[[2-(hydroxymethyl)cyclohexyl]methylamino]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[[2-(hydroxymethyl)cyclohexyl]methylamino]ethanimidamide is NC(CNCC1CCCCC1CO)=NO.
What is the InChIKey of N'-hydroxy-2-[[2-(hydroxymethyl)cyclohexyl]methylamino]ethanimidamide?
The InChIKey is YIKHFYHDNSUECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c11-10(13-15)6-12-5-8-3-1-2-4-9(8)7-14/h8-9,12,14-15H,1-7H2,(H2,11,13).
What are the key properties of N'-hydroxy-2-[[2-(hydroxymethyl)cyclohexyl]methylamino]ethanimidamide?
N'-hydroxy-2-[[2-(hydroxymethyl)cyclohexyl]methylamino]ethanimidamide has a molecular weight of 215.30 g/mol, XLogP of 0.12, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[[2-(hydroxymethyl)cyclohexyl]methylamino]ethanimidamide is sourced from PubChem (CID 77104696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).