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

C10H21N3O2 — CID 77050224

IUPACN'-hydroxy-3-[(2-hydroxycyclohexyl)methylamino]propanimidamide
SMILESNC(CCNCC1CCCCC1O)=NO
InChIInChI=1S/C10H21N3O2/c11-10(13-15)5-6-12-7-8-3-1-2-4-9(8)14/h8-9,12,14-15H,1-7H2,(H2,11,13)
InChIKeyRYLADNWIHVNZSF-UHFFFAOYSA-N
MW215.30 g/mol
LogP0.26
Rot. Bonds5

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

N'-hydroxy-3-[(2-hydroxycyclohexyl)methylamino]propanimidamide (PubChem CID 77050224) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is N'-hydroxy-3-[(2-hydroxycyclohexyl)methylamino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[(2-hydroxycyclohexyl)methylamino]propanimidamide
PubChem CID77050224
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC NameN'-hydroxy-3-[(2-hydroxycyclohexyl)methylamino]propanimidamide
SMILESNC(CCNCC1CCCCC1O)=NO
InChIInChI=1S/C10H21N3O2/c11-10(13-15)5-6-12-7-8-3-1-2-4-9(8)14/h8-9,12,14-15H,1-7H2,(H2,11,13)
InChIKeyRYLADNWIHVNZSF-UHFFFAOYSA-N
XLogP0.26
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 ≤ 50.26
H-Bond Donors ≤ 54
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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Related Compounds

3,3,3-trifluoro-N'-hydroxy-2-[[(2-hydroxycyclohexyl)methylamino]methyl]propanimidamide
CID 103369897
3,3,3-trifluoro-N'-hydroxy-2-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]propanimidamide
CID 103370118
3,3,3-trifluoro-N'-hydroxy-2-[[(3-hydroxycyclohexyl)methylamino]methyl]propanimidamide
CID 106136353
3,3,3-trifluoro-N'-hydroxy-2-[[(4-hydroxycyclohexyl)methylamino]methyl]propanimidamide
CID 106136379
3,3,3-trifluoro-N'-hydroxy-2-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]propanimidamide
CID 106361742
N'-hydroxy-3-[[1-(hydroxymethyl)cyclohexyl]amino]propanimidamide
CID 77028872
N'-hydroxy-3-[[1-(hydroxymethyl)cyclohexyl]amino]-2-methylpropanimidamide
CID 77028873
N'-hydroxy-5-[[1-(hydroxymethyl)cyclohexyl]amino]pentanimidamide
CID 77029257
N'-hydroxy-4-[[1-(hydroxymethyl)cyclohexyl]amino]butanimidamide
CID 77029892
N'-hydroxy-4-[(2-hydroxycyclohexyl)methylamino]butanimidamide
CID 77050192
N'-hydroxy-3-[(2-hydroxycyclohexyl)methylamino]-2-methylpropanimidamide
CID 77050193
N'-hydroxy-5-[(2-hydroxycyclohexyl)methylamino]pentanimidamide
CID 77050204

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[(2-hydroxycyclohexyl)methylamino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[(2-hydroxycyclohexyl)methylamino]propanimidamide (CID 77050224) is N'-hydroxy-3-[(2-hydroxycyclohexyl)methylamino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[(2-hydroxycyclohexyl)methylamino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[(2-hydroxycyclohexyl)methylamino]propanimidamide is NC(CCNCC1CCCCC1O)=NO.
What is the InChIKey of N'-hydroxy-3-[(2-hydroxycyclohexyl)methylamino]propanimidamide?
The InChIKey is RYLADNWIHVNZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c11-10(13-15)5-6-12-7-8-3-1-2-4-9(8)14/h8-9,12,14-15H,1-7H2,(H2,11,13).
What are the key properties of N'-hydroxy-3-[(2-hydroxycyclohexyl)methylamino]propanimidamide?
N'-hydroxy-3-[(2-hydroxycyclohexyl)methylamino]propanimidamide has a molecular weight of 215.30 g/mol, XLogP of 0.26, 5 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)methylamino]propanimidamide is sourced from PubChem (CID 77050224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).