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

C12H18N4O — CID 137273186

IUPAC3-[(cyclobutylmethylamino)methyl]-N'-hydroxypyridine-2-carboximidamide
SMILESN/C(=N\O)c1ncccc1CNCC1CCC1
InChIInChI=1S/C12H18N4O/c13-12(16-17)11-10(5-2-6-15-11)8-14-7-9-3-1-4-9/h2,5-6,9,14,17H,1,3-4,7-8H2,(H2,13,16)
InChIKeyHJPAALQKZIBDCR-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.07
Rot. Bonds5

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

3-[(cyclobutylmethylamino)methyl]-N'-hydroxypyridine-2-carboximidamide (PubChem CID 137273186) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-[(cyclobutylmethylamino)methyl]-N'-hydroxypyridine-2-carboximidamide.

Molecular Properties

Compound Name3-[(cyclobutylmethylamino)methyl]-N'-hydroxypyridine-2-carboximidamide
PubChem CID137273186
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name3-[(cyclobutylmethylamino)methyl]-N'-hydroxypyridine-2-carboximidamide
SMILESN/C(=N\O)c1ncccc1CNCC1CCC1
InChIInChI=1S/C12H18N4O/c13-12(16-17)11-10(5-2-6-15-11)8-14-7-9-3-1-4-9/h2,5-6,9,14,17H,1,3-4,7-8H2,(H2,13,16)
InChIKeyHJPAALQKZIBDCR-UHFFFAOYSA-N
XLogP1.07
TPSA83.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.07
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

3-[(cyclohexylamino)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 137274717
N'-hydroxy-3-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]pyridine-2-carboximidamide
CID 136746816
3-[[(1-ethylcyclobutyl)methylamino]methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136857168
3-[(but-2-ynylamino)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136954347
N'-hydroxy-3-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]pyridine-2-carboximidamide
CID 136883326
N'-hydroxy-3-[[(3-methylcyclobutyl)amino]methyl]pyridine-2-carboximidamide
CID 137000485
N'-hydroxy-3-[[(1-propylcyclopropyl)methylamino]methyl]pyridine-2-carboximidamide
CID 136711899
N'-hydroxy-3-[[(3-methylcyclopentyl)amino]methyl]pyridine-2-carboximidamide
CID 137015363
1-cyclobutyl-N-(quinolin-8-ylmethyl)methanamine
CID 43298300
N'-hydroxy-3-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]pyridine-2-carboximidamide
CID 136690664
3-[[[2-ethyl-2-(hydroxymethyl)butyl]amino]methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136864271
N-cyclopropyl-2-[[2-[(Z)-N'-hydroxycarbamimidoyl]-3-pyridinyl]methylamino]propanamide
CID 136868884

Frequently Asked Questions

What is the IUPAC name of 3-[(cyclobutylmethylamino)methyl]-N'-hydroxypyridine-2-carboximidamide?
The IUPAC name of 3-[(cyclobutylmethylamino)methyl]-N'-hydroxypyridine-2-carboximidamide (CID 137273186) is 3-[(cyclobutylmethylamino)methyl]-N'-hydroxypyridine-2-carboximidamide.
What is the SMILES notation for 3-[(cyclobutylmethylamino)methyl]-N'-hydroxypyridine-2-carboximidamide?
The canonical SMILES for 3-[(cyclobutylmethylamino)methyl]-N'-hydroxypyridine-2-carboximidamide is N/C(=N\O)c1ncccc1CNCC1CCC1.
What is the InChIKey of 3-[(cyclobutylmethylamino)methyl]-N'-hydroxypyridine-2-carboximidamide?
The InChIKey is HJPAALQKZIBDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c13-12(16-17)11-10(5-2-6-15-11)8-14-7-9-3-1-4-9/h2,5-6,9,14,17H,1,3-4,7-8H2,(H2,13,16).
What are the key properties of 3-[(cyclobutylmethylamino)methyl]-N'-hydroxypyridine-2-carboximidamide?
3-[(cyclobutylmethylamino)methyl]-N'-hydroxypyridine-2-carboximidamide has a molecular weight of 234.30 g/mol, XLogP of 1.07, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclobutylmethylamino)methyl]-N'-hydroxypyridine-2-carboximidamide is sourced from PubChem (CID 137273186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).