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

C14H22N4O — CID 78971246

IUPAC2-[cyclohexylmethyl(methyl)amino]-N'-hydroxypyridine-3-carboximidamide
SMILESCN(CC1CCCCC1)c1ncccc1/C(N)=N/O
InChIInChI=1S/C14H22N4O/c1-18(10-11-6-3-2-4-7-11)14-12(13(15)17-19)8-5-9-16-14/h5,8-9,11,19H,2-4,6-7,10H2,1H3,(H2,15,17)
InChIKeyIJJNAKDXFJOLAI-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.19
Rot. Bonds4

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

2-[cyclohexylmethyl(methyl)amino]-N'-hydroxypyridine-3-carboximidamide (PubChem CID 78971246) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-[cyclohexylmethyl(methyl)amino]-N'-hydroxypyridine-3-carboximidamide.

Molecular Properties

Compound Name2-[cyclohexylmethyl(methyl)amino]-N'-hydroxypyridine-3-carboximidamide
PubChem CID78971246
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-[cyclohexylmethyl(methyl)amino]-N'-hydroxypyridine-3-carboximidamide
SMILESCN(CC1CCCCC1)c1ncccc1/C(N)=N/O
InChIInChI=1S/C14H22N4O/c1-18(10-11-6-3-2-4-7-11)14-12(13(15)17-19)8-5-9-16-14/h5,8-9,11,19H,2-4,6-7,10H2,1H3,(H2,15,17)
InChIKeyIJJNAKDXFJOLAI-UHFFFAOYSA-N
XLogP2.19
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.19
H-Bond Donors ≤ 52
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-chloro-2-[cyclohexylmethyl(methyl)amino]-N'-hydroxypyridine-4-carboximidamide
CID 136739366
N'-hydroxy-2-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carboximidamide
CID 61432324
ethyl 2-[cyclopentylmethyl(methyl)amino]pyridine-3-carboxylate
CID 133469103
3-chloro-N'-hydroxy-2-[methyl(oxan-3-ylmethyl)amino]pyridine-4-carboximidamide
CID 136739474
3-chloro-N'-hydroxy-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyridine-4-carboximidamide
CID 136739462
2-[(2-bromophenyl)methyl-methylamino]-N'-hydroxypyridine-3-carboximidamide
CID 61416620
2-[cyclopropylmethyl(methyl)amino]-N'-hydroxy-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79877590
3-N-(cyclohexylmethyl)-3-N-methylpyridine-2,3-diamine
CID 104540064
N'-hydroxy-2-[1-hydroxypropan-2-yl(methyl)amino]pyridine-3-carboximidamide
CID 104552120
4-chloro-2-[cyclopentylmethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
CID 77002613
2-[cyclobutylmethyl(methyl)amino]-N'-hydroxy-5,6,7,8-tetrahydroquinoline-3-carboximidamide
CID 76950871
ethyl 2-[methyl(piperidin-3-ylmethyl)amino]pyridine-3-carboxylate
CID 106642853

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexylmethyl(methyl)amino]-N'-hydroxypyridine-3-carboximidamide?
The IUPAC name of 2-[cyclohexylmethyl(methyl)amino]-N'-hydroxypyridine-3-carboximidamide (CID 78971246) is 2-[cyclohexylmethyl(methyl)amino]-N'-hydroxypyridine-3-carboximidamide.
What is the SMILES notation for 2-[cyclohexylmethyl(methyl)amino]-N'-hydroxypyridine-3-carboximidamide?
The canonical SMILES for 2-[cyclohexylmethyl(methyl)amino]-N'-hydroxypyridine-3-carboximidamide is CN(CC1CCCCC1)c1ncccc1/C(N)=N/O.
What is the InChIKey of 2-[cyclohexylmethyl(methyl)amino]-N'-hydroxypyridine-3-carboximidamide?
The InChIKey is IJJNAKDXFJOLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-18(10-11-6-3-2-4-7-11)14-12(13(15)17-19)8-5-9-16-14/h5,8-9,11,19H,2-4,6-7,10H2,1H3,(H2,15,17).
What are the key properties of 2-[cyclohexylmethyl(methyl)amino]-N'-hydroxypyridine-3-carboximidamide?
2-[cyclohexylmethyl(methyl)amino]-N'-hydroxypyridine-3-carboximidamide has a molecular weight of 262.36 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexylmethyl(methyl)amino]-N'-hydroxypyridine-3-carboximidamide is sourced from PubChem (CID 78971246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).