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

C13H22N4O — CID 76916149

IUPAC2-[butan-2-yl(ethyl)amino]-N'-hydroxy-6-methylpyridine-3-carboximidamide
SMILESCCC(C)N(CC)c1nc(C)ccc1C(N)=NO
InChIInChI=1S/C13H22N4O/c1-5-10(4)17(6-2)13-11(12(14)16-18)8-7-9(3)15-13/h7-8,10,18H,5-6H2,1-4H3,(H2,14,16)
InChIKeyWWQYHYMPZGHPNV-UHFFFAOYSA-N
MW250.35 g/mol
LogP2.11
Rot. Bonds5

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

2-[butan-2-yl(ethyl)amino]-N'-hydroxy-6-methylpyridine-3-carboximidamide (PubChem CID 76916149) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-[butan-2-yl(ethyl)amino]-N'-hydroxy-6-methylpyridine-3-carboximidamide.

Molecular Properties

Compound Name2-[butan-2-yl(ethyl)amino]-N'-hydroxy-6-methylpyridine-3-carboximidamide
PubChem CID76916149
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-[butan-2-yl(ethyl)amino]-N'-hydroxy-6-methylpyridine-3-carboximidamide
SMILESCCC(C)N(CC)c1nc(C)ccc1C(N)=NO
InChIInChI=1S/C13H22N4O/c1-5-10(4)17(6-2)13-11(12(14)16-18)8-7-9(3)15-13/h7-8,10,18H,5-6H2,1-4H3,(H2,14,16)
InChIKeyWWQYHYMPZGHPNV-UHFFFAOYSA-N
XLogP2.11
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 52.11
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 2-[butan-2-yl(ethyl)amino]-N'-hydroxy-6-methylpyridine-3-carboximidamide?
The IUPAC name of 2-[butan-2-yl(ethyl)amino]-N'-hydroxy-6-methylpyridine-3-carboximidamide (CID 76916149) is 2-[butan-2-yl(ethyl)amino]-N'-hydroxy-6-methylpyridine-3-carboximidamide.
What is the SMILES notation for 2-[butan-2-yl(ethyl)amino]-N'-hydroxy-6-methylpyridine-3-carboximidamide?
The canonical SMILES for 2-[butan-2-yl(ethyl)amino]-N'-hydroxy-6-methylpyridine-3-carboximidamide is CCC(C)N(CC)c1nc(C)ccc1C(N)=NO.
What is the InChIKey of 2-[butan-2-yl(ethyl)amino]-N'-hydroxy-6-methylpyridine-3-carboximidamide?
The InChIKey is WWQYHYMPZGHPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-5-10(4)17(6-2)13-11(12(14)16-18)8-7-9(3)15-13/h7-8,10,18H,5-6H2,1-4H3,(H2,14,16).
What are the key properties of 2-[butan-2-yl(ethyl)amino]-N'-hydroxy-6-methylpyridine-3-carboximidamide?
2-[butan-2-yl(ethyl)amino]-N'-hydroxy-6-methylpyridine-3-carboximidamide has a molecular weight of 250.35 g/mol, XLogP of 2.11, 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-6-methylpyridine-3-carboximidamide is sourced from PubChem (CID 76916149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).