[6-[2-ethoxyethyl(ethyl)amino]-5-methyl-3-pyridinyl]methanol

C13H22N2O2 — CID 80629506

IUPAC[6-[2-ethoxyethyl(ethyl)amino]-5-methyl-3-pyridinyl]methanol
SMILESCCOCCN(CC)c1ncc(CO)cc1C
InChIInChI=1S/C13H22N2O2/c1-4-15(6-7-17-5-2)13-11(3)8-12(10-16)9-14-13/h8-9,16H,4-7,10H2,1-3H3
InChIKeyRSUHJWHKASSRAS-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.75
Rot. Bonds7

About [6-[2-ethoxyethyl(ethyl)amino]-5-methyl-3-pyridinyl]methanol

[6-[2-ethoxyethyl(ethyl)amino]-5-methyl-3-pyridinyl]methanol (PubChem CID 80629506) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is [6-[2-ethoxyethyl(ethyl)amino]-5-methyl-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[2-ethoxyethyl(ethyl)amino]-5-methyl-3-pyridinyl]methanol
PubChem CID80629506
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name[6-[2-ethoxyethyl(ethyl)amino]-5-methyl-3-pyridinyl]methanol
SMILESCCOCCN(CC)c1ncc(CO)cc1C
InChIInChI=1S/C13H22N2O2/c1-4-15(6-7-17-5-2)13-11(3)8-12(10-16)9-14-13/h8-9,16H,4-7,10H2,1-3H3
InChIKeyRSUHJWHKASSRAS-UHFFFAOYSA-N
XLogP1.75
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [6-[2-ethoxyethyl(ethyl)amino]-5-methyl-3-pyridinyl]methanol?
The IUPAC name of [6-[2-ethoxyethyl(ethyl)amino]-5-methyl-3-pyridinyl]methanol (CID 80629506) is [6-[2-ethoxyethyl(ethyl)amino]-5-methyl-3-pyridinyl]methanol.
What is the SMILES notation for [6-[2-ethoxyethyl(ethyl)amino]-5-methyl-3-pyridinyl]methanol?
The canonical SMILES for [6-[2-ethoxyethyl(ethyl)amino]-5-methyl-3-pyridinyl]methanol is CCOCCN(CC)c1ncc(CO)cc1C.
What is the InChIKey of [6-[2-ethoxyethyl(ethyl)amino]-5-methyl-3-pyridinyl]methanol?
The InChIKey is RSUHJWHKASSRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-4-15(6-7-17-5-2)13-11(3)8-12(10-16)9-14-13/h8-9,16H,4-7,10H2,1-3H3.
What are the key properties of [6-[2-ethoxyethyl(ethyl)amino]-5-methyl-3-pyridinyl]methanol?
[6-[2-ethoxyethyl(ethyl)amino]-5-methyl-3-pyridinyl]methanol has a molecular weight of 238.33 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-ethoxyethyl(ethyl)amino]-5-methyl-3-pyridinyl]methanol is sourced from PubChem (CID 80629506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).