2-[cyclobutylmethyl(methyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide

C14H22N4O — CID 76950939

IUPAC2-[cyclobutylmethyl(methyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
SMILESCc1cc(C)c(C(N)=NO)c(N(C)CC2CCC2)n1
InChIInChI=1S/C14H22N4O/c1-9-7-10(2)16-14(12(9)13(15)17-19)18(3)8-11-5-4-6-11/h7,11,19H,4-6,8H2,1-3H3,(H2,15,17)
InChIKeyGCIWUZWWPGAMAE-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.03
Rot. Bonds4

About 2-[cyclobutylmethyl(methyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide

2-[cyclobutylmethyl(methyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide (PubChem CID 76950939) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-[cyclobutylmethyl(methyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide.

Molecular Properties

Compound Name2-[cyclobutylmethyl(methyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
PubChem CID76950939
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-[cyclobutylmethyl(methyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
SMILESCc1cc(C)c(C(N)=NO)c(N(C)CC2CCC2)n1
InChIInChI=1S/C14H22N4O/c1-9-7-10(2)16-14(12(9)13(15)17-19)18(3)8-11-5-4-6-11/h7,11,19H,4-6,8H2,1-3H3,(H2,15,17)
InChIKeyGCIWUZWWPGAMAE-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
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-[cyclobutylmethyl(methyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide?
The IUPAC name of 2-[cyclobutylmethyl(methyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide (CID 76950939) is 2-[cyclobutylmethyl(methyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide.
What is the SMILES notation for 2-[cyclobutylmethyl(methyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide?
The canonical SMILES for 2-[cyclobutylmethyl(methyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide is Cc1cc(C)c(C(N)=NO)c(N(C)CC2CCC2)n1.
What is the InChIKey of 2-[cyclobutylmethyl(methyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide?
The InChIKey is GCIWUZWWPGAMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-9-7-10(2)16-14(12(9)13(15)17-19)18(3)8-11-5-4-6-11/h7,11,19H,4-6,8H2,1-3H3,(H2,15,17).
What are the key properties of 2-[cyclobutylmethyl(methyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide?
2-[cyclobutylmethyl(methyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide has a molecular weight of 262.36 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutylmethyl(methyl)amino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide is sourced from PubChem (CID 76950939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).