N-[(2-ethyloxolan-3-yl)-(4-methyl-3-pyridinyl)methyl]ethanamine

C15H24N2O — CID 114104451

IUPACN-[(2-ethyloxolan-3-yl)-(4-methyl-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1cnccc1C)C1CCOC1CC
InChIInChI=1S/C15H24N2O/c1-4-14-12(7-9-18-14)15(17-5-2)13-10-16-8-6-11(13)3/h6,8,10,12,14-15,17H,4-5,7,9H2,1-3H3
InChIKeySWORQSGBSSZTDD-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.86
Rot. Bonds5

About N-[(2-ethyloxolan-3-yl)-(4-methyl-3-pyridinyl)methyl]ethanamine

N-[(2-ethyloxolan-3-yl)-(4-methyl-3-pyridinyl)methyl]ethanamine (PubChem CID 114104451) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[(2-ethyloxolan-3-yl)-(4-methyl-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-ethyloxolan-3-yl)-(4-methyl-3-pyridinyl)methyl]ethanamine
PubChem CID114104451
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[(2-ethyloxolan-3-yl)-(4-methyl-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1cnccc1C)C1CCOC1CC
InChIInChI=1S/C15H24N2O/c1-4-14-12(7-9-18-14)15(17-5-2)13-10-16-8-6-11(13)3/h6,8,10,12,14-15,17H,4-5,7,9H2,1-3H3
InChIKeySWORQSGBSSZTDD-UHFFFAOYSA-N
XLogP2.86
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyloxolan-3-yl)-(4-methyl-3-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(2-ethyloxolan-3-yl)-(4-methyl-3-pyridinyl)methyl]ethanamine (CID 114104451) is N-[(2-ethyloxolan-3-yl)-(4-methyl-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-ethyloxolan-3-yl)-(4-methyl-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(2-ethyloxolan-3-yl)-(4-methyl-3-pyridinyl)methyl]ethanamine is CCNC(c1cnccc1C)C1CCOC1CC.
What is the InChIKey of N-[(2-ethyloxolan-3-yl)-(4-methyl-3-pyridinyl)methyl]ethanamine?
The InChIKey is SWORQSGBSSZTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-14-12(7-9-18-14)15(17-5-2)13-10-16-8-6-11(13)3/h6,8,10,12,14-15,17H,4-5,7,9H2,1-3H3.
What are the key properties of N-[(2-ethyloxolan-3-yl)-(4-methyl-3-pyridinyl)methyl]ethanamine?
N-[(2-ethyloxolan-3-yl)-(4-methyl-3-pyridinyl)methyl]ethanamine has a molecular weight of 248.37 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyloxolan-3-yl)-(4-methyl-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 114104451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).