3-[(cyclohexylamino)methyl]-N'-hydroxypyridine-2-carboximidamide

C13H20N4O — CID 137274717

IUPAC3-[(cyclohexylamino)methyl]-N'-hydroxypyridine-2-carboximidamide
SMILESN/C(=N\O)c1ncccc1CNC1CCCCC1
InChIInChI=1S/C13H20N4O/c14-13(17-18)12-10(5-4-8-15-12)9-16-11-6-2-1-3-7-11/h4-5,8,11,16,18H,1-3,6-7,9H2,(H2,14,17)
InChIKeyWPQHEAIPFRLXCQ-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.60
Rot. Bonds4

About 3-[(cyclohexylamino)methyl]-N'-hydroxypyridine-2-carboximidamide

3-[(cyclohexylamino)methyl]-N'-hydroxypyridine-2-carboximidamide (PubChem CID 137274717) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-[(cyclohexylamino)methyl]-N'-hydroxypyridine-2-carboximidamide.

Molecular Properties

Compound Name3-[(cyclohexylamino)methyl]-N'-hydroxypyridine-2-carboximidamide
PubChem CID137274717
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name3-[(cyclohexylamino)methyl]-N'-hydroxypyridine-2-carboximidamide
SMILESN/C(=N\O)c1ncccc1CNC1CCCCC1
InChIInChI=1S/C13H20N4O/c14-13(17-18)12-10(5-4-8-15-12)9-16-11-6-2-1-3-7-11/h4-5,8,11,16,18H,1-3,6-7,9H2,(H2,14,17)
InChIKeyWPQHEAIPFRLXCQ-UHFFFAOYSA-N
XLogP1.60
TPSA83.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.60
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-3-[[(3-methylcyclobutyl)amino]methyl]pyridine-2-carboximidamide
CID 137000485
N'-hydroxy-3-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]pyridine-2-carboximidamide
CID 136746816
N'-hydroxy-3-[[(3-methylcyclopentyl)amino]methyl]pyridine-2-carboximidamide
CID 137015363
3-[(cyclobutylmethylamino)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 137273186
N-cyclopropyl-2-[[2-[(Z)-N'-hydroxycarbamimidoyl]-3-pyridinyl]methylamino]propanamide
CID 136868884
3-[(cyclobutylamino)methyl]pyridin-2-amine
CID 117212619
N'-hydroxy-3-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]pyridine-2-carboximidamide
CID 136883326
3-[[(1-ethylcyclobutyl)methylamino]methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136857168
3-[(but-2-ynylamino)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136954347
3-[(2,6-dibromoanilino)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136716818
4-[(cyclooctylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77025574
N'-hydroxy-3-[[(1-propylcyclopropyl)methylamino]methyl]pyridine-2-carboximidamide
CID 136711899

Frequently Asked Questions

What is the IUPAC name of 3-[(cyclohexylamino)methyl]-N'-hydroxypyridine-2-carboximidamide?
The IUPAC name of 3-[(cyclohexylamino)methyl]-N'-hydroxypyridine-2-carboximidamide (CID 137274717) is 3-[(cyclohexylamino)methyl]-N'-hydroxypyridine-2-carboximidamide.
What is the SMILES notation for 3-[(cyclohexylamino)methyl]-N'-hydroxypyridine-2-carboximidamide?
The canonical SMILES for 3-[(cyclohexylamino)methyl]-N'-hydroxypyridine-2-carboximidamide is N/C(=N\O)c1ncccc1CNC1CCCCC1.
What is the InChIKey of 3-[(cyclohexylamino)methyl]-N'-hydroxypyridine-2-carboximidamide?
The InChIKey is WPQHEAIPFRLXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c14-13(17-18)12-10(5-4-8-15-12)9-16-11-6-2-1-3-7-11/h4-5,8,11,16,18H,1-3,6-7,9H2,(H2,14,17).
What are the key properties of 3-[(cyclohexylamino)methyl]-N'-hydroxypyridine-2-carboximidamide?
3-[(cyclohexylamino)methyl]-N'-hydroxypyridine-2-carboximidamide has a molecular weight of 248.33 g/mol, XLogP of 1.60, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclohexylamino)methyl]-N'-hydroxypyridine-2-carboximidamide is sourced from PubChem (CID 137274717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).