3-[[(3-ethoxy-2-pyridinyl)amino]methyl]hexan-1-ol

C14H24N2O2 — CID 106115743

IUPAC3-[[(3-ethoxy-2-pyridinyl)amino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNc1ncccc1OCC
InChIInChI=1S/C14H24N2O2/c1-3-6-12(8-10-17)11-16-14-13(18-4-2)7-5-9-15-14/h5,7,9,12,17H,3-4,6,8,10-11H2,1-2H3,(H,15,16)
InChIKeyLDECCIUUHXTXEX-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.69
Rot. Bonds9

About 3-[[(3-ethoxy-2-pyridinyl)amino]methyl]hexan-1-ol

3-[[(3-ethoxy-2-pyridinyl)amino]methyl]hexan-1-ol (PubChem CID 106115743) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-[[(3-ethoxy-2-pyridinyl)amino]methyl]hexan-1-ol.

Molecular Properties

Compound Name3-[[(3-ethoxy-2-pyridinyl)amino]methyl]hexan-1-ol
PubChem CID106115743
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name3-[[(3-ethoxy-2-pyridinyl)amino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNc1ncccc1OCC
InChIInChI=1S/C14H24N2O2/c1-3-6-12(8-10-17)11-16-14-13(18-4-2)7-5-9-15-14/h5,7,9,12,17H,3-4,6,8,10-11H2,1-2H3,(H,15,16)
InChIKeyLDECCIUUHXTXEX-UHFFFAOYSA-N
XLogP2.69
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-ethoxy-2-pyridinyl)amino]-2-hydroxypropanamide
CID 106170981
3-[[1-(2-ethoxyphenyl)ethylamino]methyl]hexan-1-ol
CID 103787460
3-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 106115794
3-[2-(2-hydroxyethyl)pentylamino]pyridine-2-carboxylic acid
CID 106115965
3-chloro-2-[2-(2-hydroxyethyl)pentylamino]pyridine-4-carboxylic acid
CID 114145424
3-ethoxy-N-(2,2,3-trimethylbutyl)pyridin-2-amine
CID 114100789
3-[[(3-methylquinoxalin-2-yl)amino]methyl]hexan-1-ol
CID 103705127
2-[3-[(3-ethoxy-2-pyridinyl)amino]propoxy]ethanol
CID 106307052
3-ethoxy-N-(3-methylbut-2-enyl)pyridin-2-amine
CID 106191598
3-[[(6-amino-3-pyridinyl)amino]methyl]hexan-1-ol
CID 106113661
3-[[(4-methylpyrimidin-2-yl)amino]methyl]hexan-1-ol
CID 103705117
3-[([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)methyl]hexan-1-ol
CID 113245597

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-ethoxy-2-pyridinyl)amino]methyl]hexan-1-ol?
The IUPAC name of 3-[[(3-ethoxy-2-pyridinyl)amino]methyl]hexan-1-ol (CID 106115743) is 3-[[(3-ethoxy-2-pyridinyl)amino]methyl]hexan-1-ol.
What is the SMILES notation for 3-[[(3-ethoxy-2-pyridinyl)amino]methyl]hexan-1-ol?
The canonical SMILES for 3-[[(3-ethoxy-2-pyridinyl)amino]methyl]hexan-1-ol is CCCC(CCO)CNc1ncccc1OCC.
What is the InChIKey of 3-[[(3-ethoxy-2-pyridinyl)amino]methyl]hexan-1-ol?
The InChIKey is LDECCIUUHXTXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-3-6-12(8-10-17)11-16-14-13(18-4-2)7-5-9-15-14/h5,7,9,12,17H,3-4,6,8,10-11H2,1-2H3,(H,15,16).
What are the key properties of 3-[[(3-ethoxy-2-pyridinyl)amino]methyl]hexan-1-ol?
3-[[(3-ethoxy-2-pyridinyl)amino]methyl]hexan-1-ol has a molecular weight of 252.36 g/mol, XLogP of 2.69, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-ethoxy-2-pyridinyl)amino]methyl]hexan-1-ol is sourced from PubChem (CID 106115743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).