N-[(5-ethyl-2-pyridinyl)methyl]-1-(oxan-3-yl)ethanamine

C15H24N2O — CID 122151355

IUPACN-[(5-ethyl-2-pyridinyl)methyl]-1-(oxan-3-yl)ethanamine
SMILESCCc1ccc(CNC(C)C2CCCOC2)nc1
InChIInChI=1S/C15H24N2O/c1-3-13-6-7-15(17-9-13)10-16-12(2)14-5-4-8-18-11-14/h6-7,9,12,14,16H,3-5,8,10-11H2,1-2H3
InChIKeyPLVNIOKDVXSDBY-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.55
Rot. Bonds5

About N-[(5-ethyl-2-pyridinyl)methyl]-1-(oxan-3-yl)ethanamine

N-[(5-ethyl-2-pyridinyl)methyl]-1-(oxan-3-yl)ethanamine (PubChem CID 122151355) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[(5-ethyl-2-pyridinyl)methyl]-1-(oxan-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(5-ethyl-2-pyridinyl)methyl]-1-(oxan-3-yl)ethanamine
PubChem CID122151355
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[(5-ethyl-2-pyridinyl)methyl]-1-(oxan-3-yl)ethanamine
SMILESCCc1ccc(CNC(C)C2CCCOC2)nc1
InChIInChI=1S/C15H24N2O/c1-3-13-6-7-15(17-9-13)10-16-12(2)14-5-4-8-18-11-14/h6-7,9,12,14,16H,3-5,8,10-11H2,1-2H3
InChIKeyPLVNIOKDVXSDBY-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-1-(oxan-3-yl)ethanamine
CID 130667431
[2-(5-ethyl-2-pyridinyl)-1-(oxolan-3-yl)ethyl]hydrazine
CID 105229310
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115684441
6-[2-[1-(oxolan-3-yl)ethylamino]ethyl]pyridin-3-amine
CID 107340376
(4-ethylphenyl)-(oxan-3-yl)methanol
CID 63014910
(1S)-1-cyclopentyl-N-[(4-ethylphenyl)methyl]ethanamine
CID 81386101
N-[(4-ethylphenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103769025
N-[(4-chlorophenyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655135
(1S)-1-cyclohexyl-N-[(4-ethylphenyl)methyl]ethanamine
CID 81387895
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655281
N-[(4-butoxyphenyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655195
N-[2-(5-ethyl-2-pyridinyl)-1-(oxan-4-yl)ethyl]propan-1-amine
CID 79748470

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-2-pyridinyl)methyl]-1-(oxan-3-yl)ethanamine?
The IUPAC name of N-[(5-ethyl-2-pyridinyl)methyl]-1-(oxan-3-yl)ethanamine (CID 122151355) is N-[(5-ethyl-2-pyridinyl)methyl]-1-(oxan-3-yl)ethanamine.
What is the SMILES notation for N-[(5-ethyl-2-pyridinyl)methyl]-1-(oxan-3-yl)ethanamine?
The canonical SMILES for N-[(5-ethyl-2-pyridinyl)methyl]-1-(oxan-3-yl)ethanamine is CCc1ccc(CNC(C)C2CCCOC2)nc1.
What is the InChIKey of N-[(5-ethyl-2-pyridinyl)methyl]-1-(oxan-3-yl)ethanamine?
The InChIKey is PLVNIOKDVXSDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-13-6-7-15(17-9-13)10-16-12(2)14-5-4-8-18-11-14/h6-7,9,12,14,16H,3-5,8,10-11H2,1-2H3.
What are the key properties of N-[(5-ethyl-2-pyridinyl)methyl]-1-(oxan-3-yl)ethanamine?
N-[(5-ethyl-2-pyridinyl)methyl]-1-(oxan-3-yl)ethanamine has a molecular weight of 248.37 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-2-pyridinyl)methyl]-1-(oxan-3-yl)ethanamine is sourced from PubChem (CID 122151355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).