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

C11H23N3O2 — CID 77104699

IUPACN'-hydroxy-3-[[2-(hydroxymethyl)cyclohexyl]methylamino]propanimidamide
SMILESNC(CCNCC1CCCCC1CO)=NO
InChIInChI=1S/C11H23N3O2/c12-11(14-16)5-6-13-7-9-3-1-2-4-10(9)8-15/h9-10,13,15-16H,1-8H2,(H2,12,14)
InChIKeyYAYLGVNBIJMDLH-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.51
Rot. Bonds6

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

N'-hydroxy-3-[[2-(hydroxymethyl)cyclohexyl]methylamino]propanimidamide (PubChem CID 77104699) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is N'-hydroxy-3-[[2-(hydroxymethyl)cyclohexyl]methylamino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[[2-(hydroxymethyl)cyclohexyl]methylamino]propanimidamide
PubChem CID77104699
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC NameN'-hydroxy-3-[[2-(hydroxymethyl)cyclohexyl]methylamino]propanimidamide
SMILESNC(CCNCC1CCCCC1CO)=NO
InChIInChI=1S/C11H23N3O2/c12-11(14-16)5-6-13-7-9-3-1-2-4-10(9)8-15/h9-10,13,15-16H,1-8H2,(H2,12,14)
InChIKeyYAYLGVNBIJMDLH-UHFFFAOYSA-N
XLogP0.51
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.51
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-(hydroxymethyl)cyclohexyl]methylamino]methyl]propanimidamide
CID 103369938
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
N'-hydroxy-3-[(2-hydroxycyclohexyl)methylamino]propanimidamide
CID 77050224
N'-hydroxy-3-[[2-(hydroxymethyl)cyclopentyl]methylamino]propanimidamide
CID 77104580
N'-hydroxy-5-[[2-(hydroxymethyl)cyclopentyl]methylamino]pentanimidamide
CID 77104581
N'-hydroxy-3-[[2-(hydroxymethyl)cyclopentyl]methylamino]pentanimidamide
CID 77104605

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[[2-(hydroxymethyl)cyclohexyl]methylamino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[[2-(hydroxymethyl)cyclohexyl]methylamino]propanimidamide (CID 77104699) is N'-hydroxy-3-[[2-(hydroxymethyl)cyclohexyl]methylamino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[[2-(hydroxymethyl)cyclohexyl]methylamino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[[2-(hydroxymethyl)cyclohexyl]methylamino]propanimidamide is NC(CCNCC1CCCCC1CO)=NO.
What is the InChIKey of N'-hydroxy-3-[[2-(hydroxymethyl)cyclohexyl]methylamino]propanimidamide?
The InChIKey is YAYLGVNBIJMDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c12-11(14-16)5-6-13-7-9-3-1-2-4-10(9)8-15/h9-10,13,15-16H,1-8H2,(H2,12,14).
What are the key properties of N'-hydroxy-3-[[2-(hydroxymethyl)cyclohexyl]methylamino]propanimidamide?
N'-hydroxy-3-[[2-(hydroxymethyl)cyclohexyl]methylamino]propanimidamide has a molecular weight of 229.32 g/mol, XLogP of 0.51, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[[2-(hydroxymethyl)cyclohexyl]methylamino]propanimidamide is sourced from PubChem (CID 77104699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).