N'-hydroxy-5-[(2-hydroxycyclohexyl)methylamino]pentanimidamide

C12H25N3O2 — CID 77050204

IUPACN'-hydroxy-5-[(2-hydroxycyclohexyl)methylamino]pentanimidamide
SMILESNC(CCCCNCC1CCCCC1O)=NO
InChIInChI=1S/C12H25N3O2/c13-12(15-17)7-3-4-8-14-9-10-5-1-2-6-11(10)16/h10-11,14,16-17H,1-9H2,(H2,13,15)
InChIKeyOYXUGJZTHFBGLW-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.04
Rot. Bonds7

About N'-hydroxy-5-[(2-hydroxycyclohexyl)methylamino]pentanimidamide

N'-hydroxy-5-[(2-hydroxycyclohexyl)methylamino]pentanimidamide (PubChem CID 77050204) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is N'-hydroxy-5-[(2-hydroxycyclohexyl)methylamino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-[(2-hydroxycyclohexyl)methylamino]pentanimidamide
PubChem CID77050204
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC NameN'-hydroxy-5-[(2-hydroxycyclohexyl)methylamino]pentanimidamide
SMILESNC(CCCCNCC1CCCCC1O)=NO
InChIInChI=1S/C12H25N3O2/c13-12(15-17)7-3-4-8-14-9-10-5-1-2-6-11(10)16/h10-11,14,16-17H,1-9H2,(H2,13,15)
InChIKeyOYXUGJZTHFBGLW-UHFFFAOYSA-N
XLogP1.04
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.04
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
2-[(2,3,4,5-Tetrahydropyridin-6-ylmethylamino)methyl]cyclohexan-1-ol
CID 24870578
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-2-[(2-hydroxycyclohexyl)methylamino]propanimidamide
CID 77050220
N'-hydroxy-3-[(2-hydroxycyclohexyl)methylamino]propanimidamide
CID 77050224
N'-hydroxy-3-[(2-hydroxycyclohexyl)methylamino]pentanimidamide
CID 77050225
N'-hydroxy-3-[(2-hydroxycyclohexyl)methylamino]butanimidamide
CID 77050226

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-[(2-hydroxycyclohexyl)methylamino]pentanimidamide?
The IUPAC name of N'-hydroxy-5-[(2-hydroxycyclohexyl)methylamino]pentanimidamide (CID 77050204) is N'-hydroxy-5-[(2-hydroxycyclohexyl)methylamino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-5-[(2-hydroxycyclohexyl)methylamino]pentanimidamide?
The canonical SMILES for N'-hydroxy-5-[(2-hydroxycyclohexyl)methylamino]pentanimidamide is NC(CCCCNCC1CCCCC1O)=NO.
What is the InChIKey of N'-hydroxy-5-[(2-hydroxycyclohexyl)methylamino]pentanimidamide?
The InChIKey is OYXUGJZTHFBGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c13-12(15-17)7-3-4-8-14-9-10-5-1-2-6-11(10)16/h10-11,14,16-17H,1-9H2,(H2,13,15).
What are the key properties of N'-hydroxy-5-[(2-hydroxycyclohexyl)methylamino]pentanimidamide?
N'-hydroxy-5-[(2-hydroxycyclohexyl)methylamino]pentanimidamide has a molecular weight of 243.35 g/mol, XLogP of 1.04, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-[(2-hydroxycyclohexyl)methylamino]pentanimidamide is sourced from PubChem (CID 77050204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).