N'-hydroxy-2-[(2-hydroxycyclohexyl)-methylamino]ethanimidamide

C9H19N3O2 — CID 102632406

IUPACN'-hydroxy-2-[(2-hydroxycyclohexyl)-methylamino]ethanimidamide
SMILESCN(CC(N)=NO)C1CCCCC1O
InChIInChI=1S/C9H19N3O2/c1-12(6-9(10)11-14)7-4-2-3-5-8(7)13/h7-8,13-14H,2-6H2,1H3,(H2,10,11)
InChIKeyYHCPCOORSACSLY-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.03
Rot. Bonds3

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

N'-hydroxy-2-[(2-hydroxycyclohexyl)-methylamino]ethanimidamide (PubChem CID 102632406) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is N'-hydroxy-2-[(2-hydroxycyclohexyl)-methylamino]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[(2-hydroxycyclohexyl)-methylamino]ethanimidamide
PubChem CID102632406
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC NameN'-hydroxy-2-[(2-hydroxycyclohexyl)-methylamino]ethanimidamide
SMILESCN(CC(N)=NO)C1CCCCC1O
InChIInChI=1S/C9H19N3O2/c1-12(6-9(10)11-14)7-4-2-3-5-8(7)13/h7-8,13-14H,2-6H2,1H3,(H2,10,11)
InChIKeyYHCPCOORSACSLY-UHFFFAOYSA-N
XLogP-0.03
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.03
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'}

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Related Compounds

N'-hydroxy-2-[methyl-(2-methylcyclohexyl)amino]ethanimidamide
CID 76912047
2-[cyclohexyl(methyl)amino]-N'-hydroxyethanimidamide
CID 24706703
N'-hydroxy-2-[(2-hydroxycyclohexyl)-methylamino]butanimidamide
CID 102632403
2-[(2-hydroxycyclopentyl)-methylamino]acetic acid
CID 60885872
2-[3-(dimethylamino)propyl-methylamino]cyclohexan-1-ol
CID 63698872
N'-hydroxy-3-[(2-hydroxycyclohexyl)-methylamino]-2-phenylpropanimidamide
CID 102632415
N,N-diethyl-2-[(2-hydroxycyclohexyl)-methylamino]acetamide
CID 115577152
2-[(3,4-dimethylcyclohexyl)-methylamino]-N'-hydroxyethanimidamide
CID 77054342
3-[(2-hydroxycyclohexyl)-methylamino]propanimidamide
CID 102632451
2-[(2-amino-2-methylpropyl)-methylamino]cyclohexan-1-ol;hydrochloride
CID 130878660
2-[cyclopropylmethyl(methyl)amino]cyclopentan-1-ol
CID 60985143
trans-(1S,2S)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]cyclohexan-1-ol
CID 102732161

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[(2-hydroxycyclohexyl)-methylamino]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[(2-hydroxycyclohexyl)-methylamino]ethanimidamide (CID 102632406) is N'-hydroxy-2-[(2-hydroxycyclohexyl)-methylamino]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[(2-hydroxycyclohexyl)-methylamino]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[(2-hydroxycyclohexyl)-methylamino]ethanimidamide is CN(CC(N)=NO)C1CCCCC1O.
What is the InChIKey of N'-hydroxy-2-[(2-hydroxycyclohexyl)-methylamino]ethanimidamide?
The InChIKey is YHCPCOORSACSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-12(6-9(10)11-14)7-4-2-3-5-8(7)13/h7-8,13-14H,2-6H2,1H3,(H2,10,11).
What are the key properties of N'-hydroxy-2-[(2-hydroxycyclohexyl)-methylamino]ethanimidamide?
N'-hydroxy-2-[(2-hydroxycyclohexyl)-methylamino]ethanimidamide has a molecular weight of 201.27 g/mol, XLogP of -0.03, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[(2-hydroxycyclohexyl)-methylamino]ethanimidamide is sourced from PubChem (CID 102632406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).