4-[[methyl(pyridin-4-ylmethyl)amino]methyl]oxolan-3-amine

C12H19N3O — CID 66236313

IUPAC4-[[methyl(pyridin-4-ylmethyl)amino]methyl]oxolan-3-amine
SMILESCN(Cc1ccncc1)CC1COCC1N
InChIInChI=1S/C12H19N3O/c1-15(6-10-2-4-14-5-3-10)7-11-8-16-9-12(11)13/h2-5,11-12H,6-9,13H2,1H3
InChIKeyMFUOVBBLDXDQJD-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.49
Rot. Bonds4

About 4-[[methyl(pyridin-4-ylmethyl)amino]methyl]oxolan-3-amine

4-[[methyl(pyridin-4-ylmethyl)amino]methyl]oxolan-3-amine (PubChem CID 66236313) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-[[methyl(pyridin-4-ylmethyl)amino]methyl]oxolan-3-amine.

Molecular Properties

Compound Name4-[[methyl(pyridin-4-ylmethyl)amino]methyl]oxolan-3-amine
PubChem CID66236313
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name4-[[methyl(pyridin-4-ylmethyl)amino]methyl]oxolan-3-amine
SMILESCN(Cc1ccncc1)CC1COCC1N
InChIInChI=1S/C12H19N3O/c1-15(6-10-2-4-14-5-3-10)7-11-8-16-9-12(11)13/h2-5,11-12H,6-9,13H2,1H3
InChIKeyMFUOVBBLDXDQJD-UHFFFAOYSA-N
XLogP0.49
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[methyl(pyridin-4-ylmethyl)amino]methyl]cyclopentan-1-amine
CID 62615408
4-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxolan-3-amine
CID 66235906
1-[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine
CID 100910771
3,5-dimethyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 64735628
(3S,4S)-4-[(dimethylamino)methyl]oxolan-3-amine;dihydrochloride
CID 154842546
4-[(dimethylamino)methyl]oxolan-3-amine
CID 66237318
4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-N-methyloxolan-3-amine
CID 66247166
4-[[(4-fluorophenyl)methyl-methylamino]methyl]-N-methyloxolan-3-amine
CID 66244984
N-ethyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]cycloheptan-1-amine
CID 62615411
N-methyl-1-(3-methylpyrrolidin-2-yl)-N-(pyridin-4-ylmethyl)methanamine
CID 102775633
N-methyl-N-(pyridin-4-ylmethyl)-1-pyrrolidin-2-ylmethanamine;hydrochloride
CID 71642062
N-(chloromethyl)-N-methyl-1-pyridin-4-ylmethanamine
CID 115263261

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(pyridin-4-ylmethyl)amino]methyl]oxolan-3-amine?
The IUPAC name of 4-[[methyl(pyridin-4-ylmethyl)amino]methyl]oxolan-3-amine (CID 66236313) is 4-[[methyl(pyridin-4-ylmethyl)amino]methyl]oxolan-3-amine.
What is the SMILES notation for 4-[[methyl(pyridin-4-ylmethyl)amino]methyl]oxolan-3-amine?
The canonical SMILES for 4-[[methyl(pyridin-4-ylmethyl)amino]methyl]oxolan-3-amine is CN(Cc1ccncc1)CC1COCC1N.
What is the InChIKey of 4-[[methyl(pyridin-4-ylmethyl)amino]methyl]oxolan-3-amine?
The InChIKey is MFUOVBBLDXDQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-15(6-10-2-4-14-5-3-10)7-11-8-16-9-12(11)13/h2-5,11-12H,6-9,13H2,1H3.
What are the key properties of 4-[[methyl(pyridin-4-ylmethyl)amino]methyl]oxolan-3-amine?
4-[[methyl(pyridin-4-ylmethyl)amino]methyl]oxolan-3-amine has a molecular weight of 221.30 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(pyridin-4-ylmethyl)amino]methyl]oxolan-3-amine is sourced from PubChem (CID 66236313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).