2-(methylamino)-1-(6-methyl-1,2-dihydropyridin-4-yl)ethanol

C9H16N2O — CID 170248758

IUPAC2-(methylamino)-1-(6-methyl-1,2-dihydropyridin-4-yl)ethanol
SMILESCNCC(O)C1=CCNC(C)=C1
InChIInChI=1S/C9H16N2O/c1-7-5-8(3-4-11-7)9(12)6-10-2/h3,5,9-12H,4,6H2,1-2H3
InChIKeyDKVLYABWMUXXGO-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.00
Rot. Bonds3

About 2-(methylamino)-1-(6-methyl-1,2-dihydropyridin-4-yl)ethanol

2-(methylamino)-1-(6-methyl-1,2-dihydropyridin-4-yl)ethanol (PubChem CID 170248758) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-(methylamino)-1-(6-methyl-1,2-dihydropyridin-4-yl)ethanol.

Molecular Properties

Compound Name2-(methylamino)-1-(6-methyl-1,2-dihydropyridin-4-yl)ethanol
PubChem CID170248758
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name2-(methylamino)-1-(6-methyl-1,2-dihydropyridin-4-yl)ethanol
SMILESCNCC(O)C1=CCNC(C)=C1
InChIInChI=1S/C9H16N2O/c1-7-5-8(3-4-11-7)9(12)6-10-2/h3,5,9-12H,4,6H2,1-2H3
InChIKeyDKVLYABWMUXXGO-UHFFFAOYSA-N
XLogP0.00
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-(6-methyl-1,2-dihydropyridin-4-yl)ethanol?
The IUPAC name of 2-(methylamino)-1-(6-methyl-1,2-dihydropyridin-4-yl)ethanol (CID 170248758) is 2-(methylamino)-1-(6-methyl-1,2-dihydropyridin-4-yl)ethanol.
What is the SMILES notation for 2-(methylamino)-1-(6-methyl-1,2-dihydropyridin-4-yl)ethanol?
The canonical SMILES for 2-(methylamino)-1-(6-methyl-1,2-dihydropyridin-4-yl)ethanol is CNCC(O)C1=CCNC(C)=C1.
What is the InChIKey of 2-(methylamino)-1-(6-methyl-1,2-dihydropyridin-4-yl)ethanol?
The InChIKey is DKVLYABWMUXXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-7-5-8(3-4-11-7)9(12)6-10-2/h3,5,9-12H,4,6H2,1-2H3.
What are the key properties of 2-(methylamino)-1-(6-methyl-1,2-dihydropyridin-4-yl)ethanol?
2-(methylamino)-1-(6-methyl-1,2-dihydropyridin-4-yl)ethanol has a molecular weight of 168.24 g/mol, XLogP of 0.00, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-(6-methyl-1,2-dihydropyridin-4-yl)ethanol is sourced from PubChem (CID 170248758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).