N-methyl-1-(4-methyl-3-pyridinyl)-2-(oxolan-2-yl)ethanamine

C13H20N2O — CID 66272484

IUPACN-methyl-1-(4-methyl-3-pyridinyl)-2-(oxolan-2-yl)ethanamine
SMILESCNC(CC1CCCO1)c1cnccc1C
InChIInChI=1S/C13H20N2O/c1-10-5-6-15-9-12(10)13(14-2)8-11-4-3-7-16-11/h5-6,9,11,13-14H,3-4,7-8H2,1-2H3
InChIKeyMKYBPKQYOFTFLG-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.22
Rot. Bonds4

About N-methyl-1-(4-methyl-3-pyridinyl)-2-(oxolan-2-yl)ethanamine

N-methyl-1-(4-methyl-3-pyridinyl)-2-(oxolan-2-yl)ethanamine (PubChem CID 66272484) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-methyl-1-(4-methyl-3-pyridinyl)-2-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(4-methyl-3-pyridinyl)-2-(oxolan-2-yl)ethanamine
PubChem CID66272484
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-methyl-1-(4-methyl-3-pyridinyl)-2-(oxolan-2-yl)ethanamine
SMILESCNC(CC1CCCO1)c1cnccc1C
InChIInChI=1S/C13H20N2O/c1-10-5-6-15-9-12(10)13(14-2)8-11-4-3-7-16-11/h5-6,9,11,13-14H,3-4,7-8H2,1-2H3
InChIKeyMKYBPKQYOFTFLG-UHFFFAOYSA-N
XLogP2.22
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methyl-3-pyridinyl)-2-(oxolan-2-yl)ethanol
CID 66271830
N-methyl-1-(2-methylthiophen-3-yl)-2-(oxolan-2-yl)ethanamine
CID 102831896
1-(2,5-dimethylthiophen-3-yl)-N-methyl-2-(oxolan-2-yl)ethanamine
CID 65156217
N-methyl-3-(oxolan-2-yl)-1-pyridin-4-ylpropan-1-amine
CID 65167446
N-methyl-1-(2-methylthiophen-3-yl)-2-(oxan-2-yl)ethanamine
CID 102833757
1-(2,5-dibromo-4-methylphenyl)-N-methyl-2-(oxolan-2-yl)ethanamine
CID 81473748
3-[1-hydrazinyl-2-(oxan-2-yl)ethyl]pyridin-4-amine
CID 105267384
N-methyl-2-(oxolan-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 62800663
1-isoquinolin-5-yl-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 115853007
1-(2-chloro-4-fluoro-5-methylphenyl)-N-methyl-2-(oxolan-2-yl)ethanamine
CID 81045054
N-methyl-2-(oxolan-2-yl)-1-(3-phenyltriazol-4-yl)ethanamine
CID 114687122
N-methyl-1-naphthalen-2-yl-2-(oxolan-2-yl)ethanamine
CID 55104166

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methyl-3-pyridinyl)-2-(oxolan-2-yl)ethanamine?
The IUPAC name of N-methyl-1-(4-methyl-3-pyridinyl)-2-(oxolan-2-yl)ethanamine (CID 66272484) is N-methyl-1-(4-methyl-3-pyridinyl)-2-(oxolan-2-yl)ethanamine.
What is the SMILES notation for N-methyl-1-(4-methyl-3-pyridinyl)-2-(oxolan-2-yl)ethanamine?
The canonical SMILES for N-methyl-1-(4-methyl-3-pyridinyl)-2-(oxolan-2-yl)ethanamine is CNC(CC1CCCO1)c1cnccc1C.
What is the InChIKey of N-methyl-1-(4-methyl-3-pyridinyl)-2-(oxolan-2-yl)ethanamine?
The InChIKey is MKYBPKQYOFTFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10-5-6-15-9-12(10)13(14-2)8-11-4-3-7-16-11/h5-6,9,11,13-14H,3-4,7-8H2,1-2H3.
What are the key properties of N-methyl-1-(4-methyl-3-pyridinyl)-2-(oxolan-2-yl)ethanamine?
N-methyl-1-(4-methyl-3-pyridinyl)-2-(oxolan-2-yl)ethanamine has a molecular weight of 220.32 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methyl-3-pyridinyl)-2-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 66272484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).