pyridin-3-yl-(2,4,5-trimethyloxolan-3-yl)methanamine

C13H20N2O — CID 115799743

IUPACpyridin-3-yl-(2,4,5-trimethyloxolan-3-yl)methanamine
SMILESCC1OC(C)C(C(N)c2cccnc2)C1C
InChIInChI=1S/C13H20N2O/c1-8-9(2)16-10(3)12(8)13(14)11-5-4-6-15-7-11/h4-10,12-13H,14H2,1-3H3
InChIKeyRDGTYWMJAURTLC-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.14
Rot. Bonds2

About pyridin-3-yl-(2,4,5-trimethyloxolan-3-yl)methanamine

pyridin-3-yl-(2,4,5-trimethyloxolan-3-yl)methanamine (PubChem CID 115799743) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is pyridin-3-yl-(2,4,5-trimethyloxolan-3-yl)methanamine.

Molecular Properties

Compound Namepyridin-3-yl-(2,4,5-trimethyloxolan-3-yl)methanamine
PubChem CID115799743
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Namepyridin-3-yl-(2,4,5-trimethyloxolan-3-yl)methanamine
SMILESCC1OC(C)C(C(N)c2cccnc2)C1C
InChIInChI=1S/C13H20N2O/c1-8-9(2)16-10(3)12(8)13(14)11-5-4-6-15-7-11/h4-10,12-13H,14H2,1-3H3
InChIKeyRDGTYWMJAURTLC-UHFFFAOYSA-N
XLogP2.14
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[pyridin-3-yl-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine
CID 115799740
[2-pyridin-3-yl-1-(2,4,5-trimethyloxolan-3-yl)ethyl]hydrazine
CID 105333771
(R)-oxan-4-yl(pyridin-3-yl)methanamine
CID 15549943
(3,4-dimethylcyclohexyl)-pyridin-3-ylmethanamine
CID 64738631
(1S,2S)-1,2-dipyridin-3-ylethane-1,2-diamine
CID 30682697
(S)-cyclohexyl(pyridin-3-yl)methanamine
CID 51888927
pyridin-3-yl(tetrazolidin-5-yl)methanamine
CID 76892923
(1R)-1-pyridin-3-ylethanamine;hydrochloride
CID 53487230
(2-propan-2-yloxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 105018368
(3,3-difluorocyclobutyl)-pyridin-3-ylmethanamine
CID 130992574
amino(pyridin-3-yl)methanethiol
CID 116939546
ethane;pyridin-3-yl(pyrimidin-5-yl)methanamine
CID 145185117

Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl-(2,4,5-trimethyloxolan-3-yl)methanamine?
The IUPAC name of pyridin-3-yl-(2,4,5-trimethyloxolan-3-yl)methanamine (CID 115799743) is pyridin-3-yl-(2,4,5-trimethyloxolan-3-yl)methanamine.
What is the SMILES notation for pyridin-3-yl-(2,4,5-trimethyloxolan-3-yl)methanamine?
The canonical SMILES for pyridin-3-yl-(2,4,5-trimethyloxolan-3-yl)methanamine is CC1OC(C)C(C(N)c2cccnc2)C1C.
What is the InChIKey of pyridin-3-yl-(2,4,5-trimethyloxolan-3-yl)methanamine?
The InChIKey is RDGTYWMJAURTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-8-9(2)16-10(3)12(8)13(14)11-5-4-6-15-7-11/h4-10,12-13H,14H2,1-3H3.
What are the key properties of pyridin-3-yl-(2,4,5-trimethyloxolan-3-yl)methanamine?
pyridin-3-yl-(2,4,5-trimethyloxolan-3-yl)methanamine has a molecular weight of 220.32 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl-(2,4,5-trimethyloxolan-3-yl)methanamine is sourced from PubChem (CID 115799743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).