2-[cycloheptyl(methyl)amino]-N'-hydroxy-6-methylpyridine-4-carboximidamide

C15H24N4O — CID 137013422

IUPAC2-[cycloheptyl(methyl)amino]-N'-hydroxy-6-methylpyridine-4-carboximidamide
SMILESCc1cc(/C(N)=N/O)cc(N(C)C2CCCCCC2)n1
InChIInChI=1S/C15H24N4O/c1-11-9-12(15(16)18-20)10-14(17-11)19(2)13-7-5-3-4-6-8-13/h9-10,13,20H,3-8H2,1-2H3,(H2,16,18)
InChIKeyDNPSCARBQNJAEO-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.64
Rot. Bonds3

About 2-[cycloheptyl(methyl)amino]-N'-hydroxy-6-methylpyridine-4-carboximidamide

2-[cycloheptyl(methyl)amino]-N'-hydroxy-6-methylpyridine-4-carboximidamide (PubChem CID 137013422) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[cycloheptyl(methyl)amino]-N'-hydroxy-6-methylpyridine-4-carboximidamide.

Molecular Properties

Compound Name2-[cycloheptyl(methyl)amino]-N'-hydroxy-6-methylpyridine-4-carboximidamide
PubChem CID137013422
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name2-[cycloheptyl(methyl)amino]-N'-hydroxy-6-methylpyridine-4-carboximidamide
SMILESCc1cc(/C(N)=N/O)cc(N(C)C2CCCCCC2)n1
InChIInChI=1S/C15H24N4O/c1-11-9-12(15(16)18-20)10-14(17-11)19(2)13-7-5-3-4-6-8-13/h9-10,13,20H,3-8H2,1-2H3,(H2,16,18)
InChIKeyDNPSCARBQNJAEO-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
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

N'-hydroxy-2-[1-hydroxypropan-2-yl(methyl)amino]-6-methylpyridine-4-carboximidamide
CID 137013645
2-[2-(cyclopropylmethoxy)ethyl-methylamino]-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 137013624
N'-hydroxy-2-[3-hydroxybutyl(methyl)amino]-6-methylpyridine-4-carboximidamide
CID 136992386
N'-hydroxy-2-methyl-6-(3-methylcyclohexyl)oxypyridine-4-carboximidamide
CID 137013763
N'-hydroxy-2-[methyl-(4-methylcyclohexyl)amino]pyridine-4-carboximidamide
CID 136926888
6-[cyclopropyl(methyl)amino]-N'-hydroxypyridine-3-carboximidamide
CID 43265005
2-methyl-6-[methyl(oxolan-3-yl)amino]pyridine-4-carbothioamide
CID 114767884
2-[cyclohexyl(methyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76938790
N-cyclohexyl-N,6-dimethylpyridin-2-amine
CID 133313190
6-[cyclohexyl(methyl)amino]-N'-hydroxy-3-nitropyridine-2-carboximidamide
CID 136768891
N'-hydroxy-2-methyl-6-[methyl(4-methylsulfanylbutan-2-yl)amino]pyridine-4-carboximidamide
CID 137013656
4-N-cycloheptyl-4-N-methylpyrimidine-2,4,6-triamine
CID 80788881

Frequently Asked Questions

What is the IUPAC name of 2-[cycloheptyl(methyl)amino]-N'-hydroxy-6-methylpyridine-4-carboximidamide?
The IUPAC name of 2-[cycloheptyl(methyl)amino]-N'-hydroxy-6-methylpyridine-4-carboximidamide (CID 137013422) is 2-[cycloheptyl(methyl)amino]-N'-hydroxy-6-methylpyridine-4-carboximidamide.
What is the SMILES notation for 2-[cycloheptyl(methyl)amino]-N'-hydroxy-6-methylpyridine-4-carboximidamide?
The canonical SMILES for 2-[cycloheptyl(methyl)amino]-N'-hydroxy-6-methylpyridine-4-carboximidamide is Cc1cc(/C(N)=N/O)cc(N(C)C2CCCCCC2)n1.
What is the InChIKey of 2-[cycloheptyl(methyl)amino]-N'-hydroxy-6-methylpyridine-4-carboximidamide?
The InChIKey is DNPSCARBQNJAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-11-9-12(15(16)18-20)10-14(17-11)19(2)13-7-5-3-4-6-8-13/h9-10,13,20H,3-8H2,1-2H3,(H2,16,18).
What are the key properties of 2-[cycloheptyl(methyl)amino]-N'-hydroxy-6-methylpyridine-4-carboximidamide?
2-[cycloheptyl(methyl)amino]-N'-hydroxy-6-methylpyridine-4-carboximidamide has a molecular weight of 276.38 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cycloheptyl(methyl)amino]-N'-hydroxy-6-methylpyridine-4-carboximidamide is sourced from PubChem (CID 137013422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).