N-[[(3S)-oxolan-3-yl]methyl]-N-(pyridin-3-ylmethyl)ethanamine

C13H20N2O — CID 95285929

IUPACN-[[(3S)-oxolan-3-yl]methyl]-N-(pyridin-3-ylmethyl)ethanamine
SMILESCCN(Cc1cccnc1)C[C@@H]1CCOC1
InChIInChI=1S/C13H20N2O/c1-2-15(10-13-5-7-16-11-13)9-12-4-3-6-14-8-12/h3-4,6,8,13H,2,5,7,9-11H2,1H3/t13-/m0/s1
InChIKeyRCAUVPAJOXENLE-ZDUSSCGKSA-N
MW220.32 g/mol
LogP1.94
Rot. Bonds5

About N-[[(3S)-oxolan-3-yl]methyl]-N-(pyridin-3-ylmethyl)ethanamine

N-[[(3S)-oxolan-3-yl]methyl]-N-(pyridin-3-ylmethyl)ethanamine (PubChem CID 95285929) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-[[(3S)-oxolan-3-yl]methyl]-N-(pyridin-3-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[[(3S)-oxolan-3-yl]methyl]-N-(pyridin-3-ylmethyl)ethanamine
PubChem CID95285929
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-[[(3S)-oxolan-3-yl]methyl]-N-(pyridin-3-ylmethyl)ethanamine
SMILESCCN(Cc1cccnc1)C[C@@H]1CCOC1
InChIInChI=1S/C13H20N2O/c1-2-15(10-13-5-7-16-11-13)9-12-4-3-6-14-8-12/h3-4,6,8,13H,2,5,7,9-11H2,1H3/t13-/m0/s1
InChIKeyRCAUVPAJOXENLE-ZDUSSCGKSA-N
XLogP1.94
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[[(3S)-oxolan-3-yl]methyl]-N-(pyridin-3-ylmethyl)ethanamine with MolForge

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Related Compounds

N-methyl-1-[(3R)-oxolan-3-yl]-N-[(3-pyridin-3-ylphenyl)methyl]methanamine
CID 97160402
1-(oxolan-3-yl)-3-pyridin-3-ylpropan-2-ol
CID 104736202
N-benzyl-1-[(3S)-oxolan-3-yl]-N-(pyridin-2-ylmethyl)methanamine
CID 95857698
3-(oxan-4-ylmethyl)pyridine;hydrochloride
CID 175648027
3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]oxan-4-ol
CID 103061377
N-methyl-N-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 75471009
2-hydroxypropane-1,2,3-tricarboxylic acid;2,2,6,6-tetramethyl-N-(oxolan-3-ylmethyl)-N-(pyridin-3-ylmethyl)piperidin-4-amine
CID 171700562
4-N-ethyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 79116173
2-[[ethyl(oxan-4-ylmethyl)amino]methyl]aniline
CID 62385506
N-cyclopropyl-1-(oxan-4-yl)-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 71997817
N-(oxan-4-ylmethyl)-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine
CID 56711698
N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-(pyridin-3-ylmethyl)ethanamine
CID 25274770

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-oxolan-3-yl]methyl]-N-(pyridin-3-ylmethyl)ethanamine?
The IUPAC name of N-[[(3S)-oxolan-3-yl]methyl]-N-(pyridin-3-ylmethyl)ethanamine (CID 95285929) is N-[[(3S)-oxolan-3-yl]methyl]-N-(pyridin-3-ylmethyl)ethanamine.
What is the SMILES notation for N-[[(3S)-oxolan-3-yl]methyl]-N-(pyridin-3-ylmethyl)ethanamine?
The canonical SMILES for N-[[(3S)-oxolan-3-yl]methyl]-N-(pyridin-3-ylmethyl)ethanamine is CCN(Cc1cccnc1)C[C@@H]1CCOC1.
What is the InChIKey of N-[[(3S)-oxolan-3-yl]methyl]-N-(pyridin-3-ylmethyl)ethanamine?
The InChIKey is RCAUVPAJOXENLE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H20N2O/c1-2-15(10-13-5-7-16-11-13)9-12-4-3-6-14-8-12/h3-4,6,8,13H,2,5,7,9-11H2,1H3/t13-/m0/s1.
What are the key properties of N-[[(3S)-oxolan-3-yl]methyl]-N-(pyridin-3-ylmethyl)ethanamine?
N-[[(3S)-oxolan-3-yl]methyl]-N-(pyridin-3-ylmethyl)ethanamine has a molecular weight of 220.32 g/mol, XLogP of 1.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-oxolan-3-yl]methyl]-N-(pyridin-3-ylmethyl)ethanamine is sourced from PubChem (CID 95285929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).