2-[3-(dimethylamino)propyl-ethylamino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide

C15H27N5O — CID 102993623

IUPAC2-[3-(dimethylamino)propyl-ethylamino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
SMILESCCN(CCCN(C)C)c1nc(C)cc(C)c1/C(N)=N/O
InChIInChI=1S/C15H27N5O/c1-6-20(9-7-8-19(4)5)15-13(14(16)18-21)11(2)10-12(3)17-15/h10,21H,6-9H2,1-5H3,(H2,16,18)
InChIKeyCJAUZAQUIJMCME-UHFFFAOYSA-N
MW293.42 g/mol
LogP1.57
Rot. Bonds7

About 2-[3-(dimethylamino)propyl-ethylamino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide

2-[3-(dimethylamino)propyl-ethylamino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide (PubChem CID 102993623) has the molecular formula C15H27N5O and a molecular weight of 293.42 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propyl-ethylamino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide.

Molecular Properties

Compound Name2-[3-(dimethylamino)propyl-ethylamino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
PubChem CID102993623
Molecular FormulaC15H27N5O
Molecular Weight293.42 g/mol
Exact Mass293.22
IUPAC Name2-[3-(dimethylamino)propyl-ethylamino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
SMILESCCN(CCCN(C)C)c1nc(C)cc(C)c1/C(N)=N/O
InChIInChI=1S/C15H27N5O/c1-6-20(9-7-8-19(4)5)15-13(14(16)18-21)11(2)10-12(3)17-15/h10,21H,6-9H2,1-5H3,(H2,16,18)
InChIKeyCJAUZAQUIJMCME-UHFFFAOYSA-N
XLogP1.57
TPSA77.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[3-(dimethylamino)propyl-ethylamino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide?
The IUPAC name of 2-[3-(dimethylamino)propyl-ethylamino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide (CID 102993623) is 2-[3-(dimethylamino)propyl-ethylamino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide.
What is the SMILES notation for 2-[3-(dimethylamino)propyl-ethylamino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide?
The canonical SMILES for 2-[3-(dimethylamino)propyl-ethylamino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide is CCN(CCCN(C)C)c1nc(C)cc(C)c1/C(N)=N/O.
What is the InChIKey of 2-[3-(dimethylamino)propyl-ethylamino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide?
The InChIKey is CJAUZAQUIJMCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-6-20(9-7-8-19(4)5)15-13(14(16)18-21)11(2)10-12(3)17-15/h10,21H,6-9H2,1-5H3,(H2,16,18).
What are the key properties of 2-[3-(dimethylamino)propyl-ethylamino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide?
2-[3-(dimethylamino)propyl-ethylamino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide has a molecular weight of 293.42 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propyl-ethylamino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide is sourced from PubChem (CID 102993623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).