2-[butan-2-yl(ethyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide

C14H24N4O — CID 61175807

IUPAC2-[butan-2-yl(ethyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
SMILESCCC(C)N(CC)c1nc(C)cc(C)c1C(N)=NO
InChIInChI=1S/C14H24N4O/c1-6-11(5)18(7-2)14-12(13(15)17-19)9(3)8-10(4)16-14/h8,11,19H,6-7H2,1-5H3,(H2,15,17)
InChIKeyFSJKVPXZOSEWGA-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.42
Rot. Bonds5

About 2-[butan-2-yl(ethyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide

2-[butan-2-yl(ethyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide (PubChem CID 61175807) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[butan-2-yl(ethyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide.

Molecular Properties

Compound Name2-[butan-2-yl(ethyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
PubChem CID61175807
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name2-[butan-2-yl(ethyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
SMILESCCC(C)N(CC)c1nc(C)cc(C)c1C(N)=NO
InChIInChI=1S/C14H24N4O/c1-6-11(5)18(7-2)14-12(13(15)17-19)9(3)8-10(4)16-14/h8,11,19H,6-7H2,1-5H3,(H2,15,17)
InChIKeyFSJKVPXZOSEWGA-UHFFFAOYSA-N
XLogP2.42
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.42
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-4,6-dimethyl-2-[methyl(pentan-3-yl)amino]pyridine-3-carboximidamide
CID 61176932
2-[butan-2-yl(ethyl)amino]-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916149
N'-hydroxy-4,6-dimethyl-2-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridine-3-carboximidamide
CID 112660075
N'-hydroxy-2-[2-methoxyethyl(propan-2-yl)amino]-4,6-dimethylpyridine-3-carboximidamide
CID 82951763
2-[3-(dimethylamino)propyl-ethylamino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
CID 102993623
2-[cyclopropyl(2-methylpropyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
CID 76911921
2-[bis(cyclopropylmethyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
CID 77022734
2-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
CID 76904065
2-[cyclobutylmethyl(methyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
CID 76950939
N'-hydroxy-4,6-dimethyl-2-[methyl-(1-methylpiperidin-4-yl)amino]pyridine-3-carboximidamide
CID 61177125
2-[butan-2-yl(2-methoxyethyl)amino]-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 137013495
N'-hydroxy-2-(1-methoxypropan-2-yloxy)-4,6-dimethylpyridine-3-carboximidamide
CID 77015874

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl(ethyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide?
The IUPAC name of 2-[butan-2-yl(ethyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide (CID 61175807) is 2-[butan-2-yl(ethyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide.
What is the SMILES notation for 2-[butan-2-yl(ethyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide?
The canonical SMILES for 2-[butan-2-yl(ethyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide is CCC(C)N(CC)c1nc(C)cc(C)c1C(N)=NO.
What is the InChIKey of 2-[butan-2-yl(ethyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide?
The InChIKey is FSJKVPXZOSEWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-6-11(5)18(7-2)14-12(13(15)17-19)9(3)8-10(4)16-14/h8,11,19H,6-7H2,1-5H3,(H2,15,17).
What are the key properties of 2-[butan-2-yl(ethyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide?
2-[butan-2-yl(ethyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide has a molecular weight of 264.37 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl(ethyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide is sourced from PubChem (CID 61175807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).