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

C10H21N3O2 — CID 106136346

IUPACN'-hydroxy-3-[(3-hydroxycyclohexyl)methylamino]propanimidamide
SMILESNC(CCNCC1CCCC(O)C1)=NO
InChIInChI=1S/C10H21N3O2/c11-10(13-15)4-5-12-7-8-2-1-3-9(14)6-8/h8-9,12,14-15H,1-7H2,(H2,11,13)
InChIKeyXXAMICIARVCVBO-UHFFFAOYSA-N
MW215.30 g/mol
LogP0.26
Rot. Bonds5

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

N'-hydroxy-3-[(3-hydroxycyclohexyl)methylamino]propanimidamide (PubChem CID 106136346) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is N'-hydroxy-3-[(3-hydroxycyclohexyl)methylamino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[(3-hydroxycyclohexyl)methylamino]propanimidamide
PubChem CID106136346
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC NameN'-hydroxy-3-[(3-hydroxycyclohexyl)methylamino]propanimidamide
SMILESNC(CCNCC1CCCC(O)C1)=NO
InChIInChI=1S/C10H21N3O2/c11-10(13-15)4-5-12-7-8-2-1-3-9(14)6-8/h8-9,12,14-15H,1-7H2,(H2,11,13)
InChIKeyXXAMICIARVCVBO-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-(cyclohexylmethylamino)-N'-hydroxypropanimidamide
CID 77028587
N'-hydroxy-5-[(3-hydroxycyclopentyl)methylamino]pentanimidamide
CID 106136308
N'-hydroxy-3-(thiolan-3-ylmethylamino)propanimidamide
CID 107296459
3,3,3-trifluoro-N'-hydroxy-2-[[(3-hydroxycyclohexyl)methylamino]methyl]propanimidamide
CID 106136353
3-(cyclohex-3-en-1-ylmethylamino)-N'-hydroxypropanimidamide
CID 77030678
1-[(3-hydroxycyclohexyl)methyl]-2-methylguanidine
CID 103696908
N'-hydroxy-4-[(1-methylpiperidin-3-yl)methylamino]butanimidamide
CID 77032158
N'-hydroxy-4-[(2-methylcyclohexyl)methylamino]butanimidamide
CID 77032285
3-[(4-methylsulfanylbutylamino)methyl]cyclohexan-1-ol
CID 106124601
N-(3-amino-3-hydroxyiminopropyl)-2-cyclohexylacetamide
CID 76948274
N-(3-amino-3-hydroxyiminopropyl)-2-cycloheptylacetamide
CID 104928892
3-[(2-cyclohexylethylamino)methyl]cyclopentan-1-ol
CID 103529231

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[(3-hydroxycyclohexyl)methylamino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[(3-hydroxycyclohexyl)methylamino]propanimidamide (CID 106136346) is N'-hydroxy-3-[(3-hydroxycyclohexyl)methylamino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[(3-hydroxycyclohexyl)methylamino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[(3-hydroxycyclohexyl)methylamino]propanimidamide is NC(CCNCC1CCCC(O)C1)=NO.
What is the InChIKey of N'-hydroxy-3-[(3-hydroxycyclohexyl)methylamino]propanimidamide?
The InChIKey is XXAMICIARVCVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c11-10(13-15)4-5-12-7-8-2-1-3-9(14)6-8/h8-9,12,14-15H,1-7H2,(H2,11,13).
What are the key properties of N'-hydroxy-3-[(3-hydroxycyclohexyl)methylamino]propanimidamide?
N'-hydroxy-3-[(3-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-[(3-hydroxycyclohexyl)methylamino]propanimidamide is sourced from PubChem (CID 106136346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).