5-[(4,4-dimethylcyclohexyl)-methylamino]-N'-hydroxypyridine-2-carboximidamide

C15H24N4O — CID 136990709

IUPAC5-[(4,4-dimethylcyclohexyl)-methylamino]-N'-hydroxypyridine-2-carboximidamide
SMILESCN(c1ccc(/C(N)=N/O)nc1)C1CCC(C)(C)CC1
InChIInChI=1S/C15H24N4O/c1-15(2)8-6-11(7-9-15)19(3)12-4-5-13(17-10-12)14(16)18-20/h4-5,10-11,20H,6-9H2,1-3H3,(H2,16,18)
InChIKeyGZUZLZIWZGEUOB-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.58
Rot. Bonds3

About 5-[(4,4-dimethylcyclohexyl)-methylamino]-N'-hydroxypyridine-2-carboximidamide

5-[(4,4-dimethylcyclohexyl)-methylamino]-N'-hydroxypyridine-2-carboximidamide (PubChem CID 136990709) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 5-[(4,4-dimethylcyclohexyl)-methylamino]-N'-hydroxypyridine-2-carboximidamide.

Molecular Properties

Compound Name5-[(4,4-dimethylcyclohexyl)-methylamino]-N'-hydroxypyridine-2-carboximidamide
PubChem CID136990709
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name5-[(4,4-dimethylcyclohexyl)-methylamino]-N'-hydroxypyridine-2-carboximidamide
SMILESCN(c1ccc(/C(N)=N/O)nc1)C1CCC(C)(C)CC1
InChIInChI=1S/C15H24N4O/c1-15(2)8-6-11(7-9-15)19(3)12-4-5-13(17-10-12)14(16)18-20/h4-5,10-11,20H,6-9H2,1-3H3,(H2,16,18)
InChIKeyGZUZLZIWZGEUOB-UHFFFAOYSA-N
XLogP2.58
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.58
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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Frequently Asked Questions

What is the IUPAC name of 5-[(4,4-dimethylcyclohexyl)-methylamino]-N'-hydroxypyridine-2-carboximidamide?
The IUPAC name of 5-[(4,4-dimethylcyclohexyl)-methylamino]-N'-hydroxypyridine-2-carboximidamide (CID 136990709) is 5-[(4,4-dimethylcyclohexyl)-methylamino]-N'-hydroxypyridine-2-carboximidamide.
What is the SMILES notation for 5-[(4,4-dimethylcyclohexyl)-methylamino]-N'-hydroxypyridine-2-carboximidamide?
The canonical SMILES for 5-[(4,4-dimethylcyclohexyl)-methylamino]-N'-hydroxypyridine-2-carboximidamide is CN(c1ccc(/C(N)=N/O)nc1)C1CCC(C)(C)CC1.
What is the InChIKey of 5-[(4,4-dimethylcyclohexyl)-methylamino]-N'-hydroxypyridine-2-carboximidamide?
The InChIKey is GZUZLZIWZGEUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-15(2)8-6-11(7-9-15)19(3)12-4-5-13(17-10-12)14(16)18-20/h4-5,10-11,20H,6-9H2,1-3H3,(H2,16,18).
What are the key properties of 5-[(4,4-dimethylcyclohexyl)-methylamino]-N'-hydroxypyridine-2-carboximidamide?
5-[(4,4-dimethylcyclohexyl)-methylamino]-N'-hydroxypyridine-2-carboximidamide has a molecular weight of 276.38 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,4-dimethylcyclohexyl)-methylamino]-N'-hydroxypyridine-2-carboximidamide is sourced from PubChem (CID 136990709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).