N-methyl-3-(oxolan-2-yl)-1-pyridin-4-ylpropan-1-amine

C13H20N2O — CID 65167446

IUPACN-methyl-3-(oxolan-2-yl)-1-pyridin-4-ylpropan-1-amine
SMILESCNC(CCC1CCCO1)c1ccncc1
InChIInChI=1S/C13H20N2O/c1-14-13(11-6-8-15-9-7-11)5-4-12-3-2-10-16-12/h6-9,12-14H,2-5,10H2,1H3
InChIKeyRKKUHYUYEAHMFQ-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.30
Rot. Bonds5

About N-methyl-3-(oxolan-2-yl)-1-pyridin-4-ylpropan-1-amine

N-methyl-3-(oxolan-2-yl)-1-pyridin-4-ylpropan-1-amine (PubChem CID 65167446) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-methyl-3-(oxolan-2-yl)-1-pyridin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(oxolan-2-yl)-1-pyridin-4-ylpropan-1-amine
PubChem CID65167446
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-methyl-3-(oxolan-2-yl)-1-pyridin-4-ylpropan-1-amine
SMILESCNC(CCC1CCCO1)c1ccncc1
InChIInChI=1S/C13H20N2O/c1-14-13(11-6-8-15-9-7-11)5-4-12-3-2-10-16-12/h6-9,12-14H,2-5,10H2,1H3
InChIKeyRKKUHYUYEAHMFQ-UHFFFAOYSA-N
XLogP2.30
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 65154712
N-methyl-3-(oxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 115852134
1-(4-ethylsulfanylphenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 106848877
1-isoquinolin-5-yl-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 115853007
1-(3-bromo-4-methylphenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 104993732
N-methyl-3-(oxan-2-yl)-1-(4-propan-2-yloxyphenyl)propan-1-amine
CID 63951733
N-methyl-1-(4-methyl-3-pyridinyl)-2-(oxolan-2-yl)ethanamine
CID 66272484
N-methyl-1-(5-methylthiophen-3-yl)-3-(oxolan-2-yl)propan-1-amine
CID 104991220
N-methyl-3-(oxolan-2-yl)-1-quinolin-3-ylpropan-1-amine
CID 115797860
1-(4-methoxyphenyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine
CID 65167486
N-methyl-4-(oxolan-2-yl)-1-quinoxalin-6-ylbutan-1-amine
CID 65164718
1-(4-fluoro-3,5-dimethylphenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine
CID 65299103

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(oxolan-2-yl)-1-pyridin-4-ylpropan-1-amine?
The IUPAC name of N-methyl-3-(oxolan-2-yl)-1-pyridin-4-ylpropan-1-amine (CID 65167446) is N-methyl-3-(oxolan-2-yl)-1-pyridin-4-ylpropan-1-amine.
What is the SMILES notation for N-methyl-3-(oxolan-2-yl)-1-pyridin-4-ylpropan-1-amine?
The canonical SMILES for N-methyl-3-(oxolan-2-yl)-1-pyridin-4-ylpropan-1-amine is CNC(CCC1CCCO1)c1ccncc1.
What is the InChIKey of N-methyl-3-(oxolan-2-yl)-1-pyridin-4-ylpropan-1-amine?
The InChIKey is RKKUHYUYEAHMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-14-13(11-6-8-15-9-7-11)5-4-12-3-2-10-16-12/h6-9,12-14H,2-5,10H2,1H3.
What are the key properties of N-methyl-3-(oxolan-2-yl)-1-pyridin-4-ylpropan-1-amine?
N-methyl-3-(oxolan-2-yl)-1-pyridin-4-ylpropan-1-amine has a molecular weight of 220.32 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(oxolan-2-yl)-1-pyridin-4-ylpropan-1-amine is sourced from PubChem (CID 65167446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).