6-[2-hydroxyethyl(propan-2-yl)amino]pyridine-2-carboximidamide

C11H18N4O — CID 64594960

IUPAC6-[2-hydroxyethyl(propan-2-yl)amino]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cccc(N(CCO)C(C)C)n1
InChIInChI=1S/C11H18N4O/c1-8(2)15(6-7-16)10-5-3-4-9(14-10)11(12)13/h3-5,8,16H,6-7H2,1-2H3,(H3,12,13)
InChIKeyRFHPNHNMHBWVNA-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.57
Rot. Bonds5

About 6-[2-hydroxyethyl(propan-2-yl)amino]pyridine-2-carboximidamide

6-[2-hydroxyethyl(propan-2-yl)amino]pyridine-2-carboximidamide (PubChem CID 64594960) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 6-[2-hydroxyethyl(propan-2-yl)amino]pyridine-2-carboximidamide.

Molecular Properties

Compound Name6-[2-hydroxyethyl(propan-2-yl)amino]pyridine-2-carboximidamide
PubChem CID64594960
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name6-[2-hydroxyethyl(propan-2-yl)amino]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cccc(N(CCO)C(C)C)n1
InChIInChI=1S/C11H18N4O/c1-8(2)15(6-7-16)10-5-3-4-9(14-10)11(12)13/h3-5,8,16H,6-7H2,1-2H3,(H3,12,13)
InChIKeyRFHPNHNMHBWVNA-UHFFFAOYSA-N
XLogP0.57
TPSA86.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[butan-2-yl(methyl)amino]pyridine-2-carboximidamide
CID 64596128
6-[cyclobutyl(2-hydroxyethyl)amino]pyridine-2-carboximidamide
CID 102863037
pyridine-2,6-dicarboximidamide
CID 23373306
6-[1-(4-chlorophenyl)ethyl-methylamino]pyridine-2-carboximidamide
CID 64594775
6-[ethyl(propan-2-yl)amino]pyridine-2-carbothioamide
CID 64589022
3-[2-hydroxyethyl(propan-2-yl)amino]pyrazine-2-carboximidamide
CID 62684546
6-[1-(2-fluorophenyl)ethyl-methylamino]pyridine-2-carboximidamide
CID 64595166
2-[2-hydroxyethyl(propan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79877260
2-[2-hydroxyethyl(propan-2-yl)amino]quinolin-8-ol
CID 82107918
6-ethylpyridine-2-carboximidamide
CID 14253206
6-[(4-methoxyphenyl)methyl-methylamino]pyridine-2-carboximidamide
CID 64596135
2-[3-hydroxypropyl(propan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79874812

Frequently Asked Questions

What is the IUPAC name of 6-[2-hydroxyethyl(propan-2-yl)amino]pyridine-2-carboximidamide?
The IUPAC name of 6-[2-hydroxyethyl(propan-2-yl)amino]pyridine-2-carboximidamide (CID 64594960) is 6-[2-hydroxyethyl(propan-2-yl)amino]pyridine-2-carboximidamide.
What is the SMILES notation for 6-[2-hydroxyethyl(propan-2-yl)amino]pyridine-2-carboximidamide?
The canonical SMILES for 6-[2-hydroxyethyl(propan-2-yl)amino]pyridine-2-carboximidamide is [H]/N=C(\N)c1cccc(N(CCO)C(C)C)n1.
What is the InChIKey of 6-[2-hydroxyethyl(propan-2-yl)amino]pyridine-2-carboximidamide?
The InChIKey is RFHPNHNMHBWVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-8(2)15(6-7-16)10-5-3-4-9(14-10)11(12)13/h3-5,8,16H,6-7H2,1-2H3,(H3,12,13).
What are the key properties of 6-[2-hydroxyethyl(propan-2-yl)amino]pyridine-2-carboximidamide?
6-[2-hydroxyethyl(propan-2-yl)amino]pyridine-2-carboximidamide has a molecular weight of 222.29 g/mol, XLogP of 0.57, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-hydroxyethyl(propan-2-yl)amino]pyridine-2-carboximidamide is sourced from PubChem (CID 64594960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).