2-[3-(dimethylamino)propoxy]pyridine-3-carboximidamide;hydrochloride

C11H19ClN4O — CID 82253262

IUPAC2-[3-(dimethylamino)propoxy]pyridine-3-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1cccnc1OCCCN(C)C
InChIInChI=1S/C11H18N4O.ClH/c1-15(2)7-4-8-16-11-9(10(12)13)5-3-6-14-11;/h3,5-6H,4,7-8H2,1-2H3,(H3,12,13);1H
InChIKeyJHBYNKYDADWPTL-UHFFFAOYSA-N
MW258.75 g/mol
LogP1.12
Rot. Bonds6

About 2-[3-(dimethylamino)propoxy]pyridine-3-carboximidamide;hydrochloride

2-[3-(dimethylamino)propoxy]pyridine-3-carboximidamide;hydrochloride (PubChem CID 82253262) has the molecular formula C11H19ClN4O and a molecular weight of 258.75 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propoxy]pyridine-3-carboximidamide;hydrochloride.

Molecular Properties

Compound Name2-[3-(dimethylamino)propoxy]pyridine-3-carboximidamide;hydrochloride
PubChem CID82253262
Molecular FormulaC11H19ClN4O
Molecular Weight258.75 g/mol
Exact Mass258.12
IUPAC Name2-[3-(dimethylamino)propoxy]pyridine-3-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1cccnc1OCCCN(C)C
InChIInChI=1S/C11H18N4O.ClH/c1-15(2)7-4-8-16-11-9(10(12)13)5-3-6-14-11;/h3,5-6H,4,7-8H2,1-2H3,(H3,12,13);1H
InChIKeyJHBYNKYDADWPTL-UHFFFAOYSA-N
XLogP1.12
TPSA75.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-hexoxypyridine-3-carboximidamide
CID 29002899
2-(2,2,2-trifluoroethoxy)pyridine-3-carboximidamide
CID 24699862
2-(2-methylphenoxy)pyridine-3-carboximidamide
CID 24707903
2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide
CID 82240665
2-[(4-chlorophenyl)methoxy]pyridine-3-carboximidamide;hydrochloride
CID 82240751
2-(2-methylpentoxy)pyridine-3-carboximidamide
CID 103283937
4-chloro-2-[3-(dimethylamino)propoxy]benzenecarboximidamide
CID 55179651
2-[3-(dimethylamino)propoxy]-5-fluorobenzenecarboximidamide
CID 63667993
2-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide
CID 63694371
2-(4-tert-butylphenoxy)pyridine-3-carboximidamide;hydrochloride
CID 82253632
2-[(2-fluorophenyl)methoxy]pyridine-3-carboximidamide
CID 63937561
2-(2-phenylphenoxy)pyridine-3-carboximidamide
CID 24699943

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propoxy]pyridine-3-carboximidamide;hydrochloride?
The IUPAC name of 2-[3-(dimethylamino)propoxy]pyridine-3-carboximidamide;hydrochloride (CID 82253262) is 2-[3-(dimethylamino)propoxy]pyridine-3-carboximidamide;hydrochloride.
What is the SMILES notation for 2-[3-(dimethylamino)propoxy]pyridine-3-carboximidamide;hydrochloride?
The canonical SMILES for 2-[3-(dimethylamino)propoxy]pyridine-3-carboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1cccnc1OCCCN(C)C.
What is the InChIKey of 2-[3-(dimethylamino)propoxy]pyridine-3-carboximidamide;hydrochloride?
The InChIKey is JHBYNKYDADWPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O.ClH/c1-15(2)7-4-8-16-11-9(10(12)13)5-3-6-14-11;/h3,5-6H,4,7-8H2,1-2H3,(H3,12,13);1H.
What are the key properties of 2-[3-(dimethylamino)propoxy]pyridine-3-carboximidamide;hydrochloride?
2-[3-(dimethylamino)propoxy]pyridine-3-carboximidamide;hydrochloride has a molecular weight of 258.75 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propoxy]pyridine-3-carboximidamide;hydrochloride is sourced from PubChem (CID 82253262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).