3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]oxan-4-ol

C14H22N2O2 — CID 103061377

IUPAC3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]oxan-4-ol
SMILESCCN(Cc1ccncc1)CC1COCCC1O
InChIInChI=1S/C14H22N2O2/c1-2-16(9-12-3-6-15-7-4-12)10-13-11-18-8-5-14(13)17/h3-4,6-7,13-14,17H,2,5,8-11H2,1H3
InChIKeyCMDNSWHITUZCPH-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.30
Rot. Bonds5

About 3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]oxan-4-ol

3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]oxan-4-ol (PubChem CID 103061377) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]oxan-4-ol
PubChem CID103061377
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]oxan-4-ol
SMILESCCN(Cc1ccncc1)CC1COCCC1O
InChIInChI=1S/C14H22N2O2/c1-2-16(9-12-3-6-15-7-4-12)10-13-11-18-8-5-14(13)17/h3-4,6-7,13-14,17H,2,5,8-11H2,1H3
InChIKeyCMDNSWHITUZCPH-UHFFFAOYSA-N
XLogP1.30
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-N-methyloxolan-3-amine
CID 66247166
2-[ethyl(pyridin-4-ylmethyl)amino]-1-(oxolan-3-yl)ethanone
CID 113448768
N-[(2-ethylcyclopropyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine
CID 143613245
3-[(dipropylamino)methyl]oxan-4-ol
CID 103061158
N-ethyl-2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 62615670
N-[[(3S)-oxolan-3-yl]methyl]-N-(pyridin-3-ylmethyl)ethanamine
CID 95285929
3-[[(4-methoxyphenyl)methyl-methylamino]methyl]oxan-4-ol
CID 103061404
2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3,5-dimethylcyclohexan-1-ol
CID 64735879
2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-4-propylcyclohexan-1-amine
CID 62608925
N-(pyridin-4-ylmethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine
CID 102819441
1-[ethyl(pyridin-4-ylmethyl)amino]-2-methylpropan-2-ol
CID 61449194
N-[(2-methylpiperidin-4-yl)methyl]-N-(pyridin-4-ylmethyl)ethanamine
CID 106740967

Frequently Asked Questions

What is the IUPAC name of 3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]oxan-4-ol?
The IUPAC name of 3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]oxan-4-ol (CID 103061377) is 3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]oxan-4-ol.
What is the SMILES notation for 3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]oxan-4-ol?
The canonical SMILES for 3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]oxan-4-ol is CCN(Cc1ccncc1)CC1COCCC1O.
What is the InChIKey of 3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]oxan-4-ol?
The InChIKey is CMDNSWHITUZCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-2-16(9-12-3-6-15-7-4-12)10-13-11-18-8-5-14(13)17/h3-4,6-7,13-14,17H,2,5,8-11H2,1H3.
What are the key properties of 3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]oxan-4-ol?
3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]oxan-4-ol has a molecular weight of 250.34 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]oxan-4-ol is sourced from PubChem (CID 103061377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).