4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-N-methyloxolan-3-amine

C14H23N3O — CID 66247166

IUPAC4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-N-methyloxolan-3-amine
SMILESCCN(Cc1ccncc1)CC1COCC1NC
InChIInChI=1S/C14H23N3O/c1-3-17(8-12-4-6-16-7-5-12)9-13-10-18-11-14(13)15-2/h4-7,13-15H,3,8-11H2,1-2H3
InChIKeyKCANFOYLJMJHJR-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.14
Rot. Bonds6

About 4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-N-methyloxolan-3-amine

4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-N-methyloxolan-3-amine (PubChem CID 66247166) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-N-methyloxolan-3-amine.

Molecular Properties

Compound Name4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-N-methyloxolan-3-amine
PubChem CID66247166
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-N-methyloxolan-3-amine
SMILESCCN(Cc1ccncc1)CC1COCC1NC
InChIInChI=1S/C14H23N3O/c1-3-17(8-12-4-6-16-7-5-12)9-13-10-18-11-14(13)15-2/h4-7,13-15H,3,8-11H2,1-2H3
InChIKeyKCANFOYLJMJHJR-UHFFFAOYSA-N
XLogP1.14
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]oxan-4-ol
CID 103061377
N-[(2-ethylcyclopropyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine
CID 143613245
N-ethyl-2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 62615670
4-[(dipropylamino)methyl]-N-methyloxolan-3-amine
CID 66267847
4-[[(4-fluorophenyl)methyl-methylamino]methyl]-N-methyloxolan-3-amine
CID 66244984
2-[[benzyl(ethyl)amino]methyl]-N-methylcyclopentan-1-amine
CID 62614486
4-[(N-ethylanilino)methyl]-N-methyloxolan-3-amine
CID 66246160
4-[[methyl(pyridin-4-ylmethyl)amino]methyl]oxolan-3-amine
CID 66236313
N-ethyl-4-[[ethyl(furan-2-ylmethyl)amino]methyl]oxolan-3-amine
CID 66259331
2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-4-propylcyclohexan-1-amine
CID 62608925
2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3,5-dimethylcyclohexan-1-ol
CID 64735879
N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-N-(pyridin-4-ylmethyl)ethanamine
CID 62259384

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-N-methyloxolan-3-amine?
The IUPAC name of 4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-N-methyloxolan-3-amine (CID 66247166) is 4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-N-methyloxolan-3-amine.
What is the SMILES notation for 4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-N-methyloxolan-3-amine?
The canonical SMILES for 4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-N-methyloxolan-3-amine is CCN(Cc1ccncc1)CC1COCC1NC.
What is the InChIKey of 4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-N-methyloxolan-3-amine?
The InChIKey is KCANFOYLJMJHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-17(8-12-4-6-16-7-5-12)9-13-10-18-11-14(13)15-2/h4-7,13-15H,3,8-11H2,1-2H3.
What are the key properties of 4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-N-methyloxolan-3-amine?
4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-N-methyloxolan-3-amine has a molecular weight of 249.36 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-N-methyloxolan-3-amine is sourced from PubChem (CID 66247166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).