2-(1,3-dioxan-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)ethanamine

C13H20N2O2 — CID 66475134

IUPAC2-(1,3-dioxan-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)ethanamine
SMILESCN(CCC1OCCCO1)Cc1ccccn1
InChIInChI=1S/C13H20N2O2/c1-15(11-12-5-2-3-7-14-12)8-6-13-16-9-4-10-17-13/h2-3,5,7,13H,4,6,8-11H2,1H3
InChIKeyNBIJDQZYOQEUDI-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.67
Rot. Bonds5

About 2-(1,3-dioxan-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)ethanamine

2-(1,3-dioxan-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)ethanamine (PubChem CID 66475134) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(1,3-dioxan-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(1,3-dioxan-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)ethanamine
PubChem CID66475134
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-(1,3-dioxan-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)ethanamine
SMILESCN(CCC1OCCCO1)Cc1ccccn1
InChIInChI=1S/C13H20N2O2/c1-15(11-12-5-2-3-7-14-12)8-6-13-16-9-4-10-17-13/h2-3,5,7,13H,4,6,8-11H2,1H3
InChIKeyNBIJDQZYOQEUDI-UHFFFAOYSA-N
XLogP1.67
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-morpholin-2-yl-N-(pyridin-2-ylmethyl)ethanamine
CID 66426851
N-methyl-1-(oxiran-2-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 43564926
N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
N-[(4-chlorophenyl)methyl]-2-(1,3-dioxan-2-yl)-N-methylethanamine
CID 66472313
2-(1,3-dioxan-2-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 66474937
N-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine;oxalic acid
CID 2845946
2-methyl-4-[methyl(pyridin-2-ylmethyl)amino]butan-2-ol
CID 79360655
4-[[methyl(pyridin-2-ylmethyl)amino]methyl]cyclohexan-1-ol
CID 115239884
1-cyclohexyl-2-[methyl(pyridin-2-ylmethyl)amino]ethanone
CID 104750407
1-[2-[methyl(pyridin-2-ylmethyl)amino]ethyl]cyclopentan-1-amine
CID 64677728
4-[methyl(pyridin-2-ylmethyl)amino]-1-phenylbutan-1-one
CID 62050830

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxan-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)ethanamine?
The IUPAC name of 2-(1,3-dioxan-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)ethanamine (CID 66475134) is 2-(1,3-dioxan-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(1,3-dioxan-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(1,3-dioxan-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)ethanamine is CN(CCC1OCCCO1)Cc1ccccn1.
What is the InChIKey of 2-(1,3-dioxan-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)ethanamine?
The InChIKey is NBIJDQZYOQEUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-15(11-12-5-2-3-7-14-12)8-6-13-16-9-4-10-17-13/h2-3,5,7,13H,4,6,8-11H2,1H3.
What are the key properties of 2-(1,3-dioxan-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)ethanamine?
2-(1,3-dioxan-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)ethanamine has a molecular weight of 236.31 g/mol, XLogP of 1.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxan-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)ethanamine is sourced from PubChem (CID 66475134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).