6-[3-(dimethylamino)propyl-ethylamino]-N'-hydroxypyridine-3-carboximidamide

C13H23N5O — CID 102993616

IUPAC6-[3-(dimethylamino)propyl-ethylamino]-N'-hydroxypyridine-3-carboximidamide
SMILESCCN(CCCN(C)C)c1ccc(/C(N)=N/O)cn1
InChIInChI=1S/C13H23N5O/c1-4-18(9-5-8-17(2)3)12-7-6-11(10-15-12)13(14)16-19/h6-7,10,19H,4-5,8-9H2,1-3H3,(H2,14,16)
InChIKeyJILVTMSZMOUNJY-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.95
Rot. Bonds7

About 6-[3-(dimethylamino)propyl-ethylamino]-N'-hydroxypyridine-3-carboximidamide

6-[3-(dimethylamino)propyl-ethylamino]-N'-hydroxypyridine-3-carboximidamide (PubChem CID 102993616) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 6-[3-(dimethylamino)propyl-ethylamino]-N'-hydroxypyridine-3-carboximidamide.

Molecular Properties

Compound Name6-[3-(dimethylamino)propyl-ethylamino]-N'-hydroxypyridine-3-carboximidamide
PubChem CID102993616
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name6-[3-(dimethylamino)propyl-ethylamino]-N'-hydroxypyridine-3-carboximidamide
SMILESCCN(CCCN(C)C)c1ccc(/C(N)=N/O)cn1
InChIInChI=1S/C13H23N5O/c1-4-18(9-5-8-17(2)3)12-7-6-11(10-15-12)13(14)16-19/h6-7,10,19H,4-5,8-9H2,1-3H3,(H2,14,16)
InChIKeyJILVTMSZMOUNJY-UHFFFAOYSA-N
XLogP0.95
TPSA77.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.95
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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Related Compounds

6-[ethyl(propyl)amino]-N'-hydroxypyridine-3-carboximidamide
CID 43268817
6-[cyclopropylmethyl(ethyl)amino]-N'-hydroxypyridine-3-carboximidamide
CID 76996434
6-[ethyl(propan-2-yl)amino]-N'-hydroxypyridine-3-carboximidamide
CID 43265833
N'-hydroxy-6-[methyl(3,3,3-trifluoropropyl)amino]pyridine-3-carboximidamide
CID 77073333
4-[[3-(dimethylamino)propyl-ethylamino]methyl]-N'-hydroxybenzenecarboximidamide
CID 102993661
6-[cyclopropyl(methyl)amino]-N'-hydroxypyridine-3-carboximidamide
CID 43265005
6-[cyclopropylmethyl(methyl)amino]-N'-hydroxypyridine-3-carboximidamide
CID 60984897
6-(N,4-dimethylanilino)-N'-hydroxypyridine-3-carboximidamide
CID 76930776
N'-[6-(chloromethyl)pyridazin-3-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102996042
6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-N'-hydroxypyridine-3-carboximidamide
CID 105414946
N'-hydroxy-6-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carboximidamide
CID 82951012
2-[3-(dimethylamino)propyl-ethylamino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
CID 102993623

Frequently Asked Questions

What is the IUPAC name of 6-[3-(dimethylamino)propyl-ethylamino]-N'-hydroxypyridine-3-carboximidamide?
The IUPAC name of 6-[3-(dimethylamino)propyl-ethylamino]-N'-hydroxypyridine-3-carboximidamide (CID 102993616) is 6-[3-(dimethylamino)propyl-ethylamino]-N'-hydroxypyridine-3-carboximidamide.
What is the SMILES notation for 6-[3-(dimethylamino)propyl-ethylamino]-N'-hydroxypyridine-3-carboximidamide?
The canonical SMILES for 6-[3-(dimethylamino)propyl-ethylamino]-N'-hydroxypyridine-3-carboximidamide is CCN(CCCN(C)C)c1ccc(/C(N)=N/O)cn1.
What is the InChIKey of 6-[3-(dimethylamino)propyl-ethylamino]-N'-hydroxypyridine-3-carboximidamide?
The InChIKey is JILVTMSZMOUNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-4-18(9-5-8-17(2)3)12-7-6-11(10-15-12)13(14)16-19/h6-7,10,19H,4-5,8-9H2,1-3H3,(H2,14,16).
What are the key properties of 6-[3-(dimethylamino)propyl-ethylamino]-N'-hydroxypyridine-3-carboximidamide?
6-[3-(dimethylamino)propyl-ethylamino]-N'-hydroxypyridine-3-carboximidamide has a molecular weight of 265.36 g/mol, XLogP of 0.95, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(dimethylamino)propyl-ethylamino]-N'-hydroxypyridine-3-carboximidamide is sourced from PubChem (CID 102993616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).