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

C14H22N2O — CID 66272084

IUPACN-[(4-methyl-3-pyridinyl)-(oxan-4-yl)methyl]ethanamine
SMILESCCNC(c1cnccc1C)C1CCOCC1
InChIInChI=1S/C14H22N2O/c1-3-16-14(12-5-8-17-9-6-12)13-10-15-7-4-11(13)2/h4,7,10,12,14,16H,3,5-6,8-9H2,1-2H3
InChIKeyGJSWZLPLVNTCCK-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.47
Rot. Bonds4

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

N-[(4-methyl-3-pyridinyl)-(oxan-4-yl)methyl]ethanamine (PubChem CID 66272084) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-[(4-methyl-3-pyridinyl)-(oxan-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-methyl-3-pyridinyl)-(oxan-4-yl)methyl]ethanamine
PubChem CID66272084
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-[(4-methyl-3-pyridinyl)-(oxan-4-yl)methyl]ethanamine
SMILESCCNC(c1cnccc1C)C1CCOCC1
InChIInChI=1S/C14H22N2O/c1-3-16-14(12-5-8-17-9-6-12)13-10-15-7-4-11(13)2/h4,7,10,12,14,16H,3,5-6,8-9H2,1-2H3
InChIKeyGJSWZLPLVNTCCK-UHFFFAOYSA-N
XLogP2.47
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-3-methylphenyl)-(oxan-4-yl)methyl]ethanamine
CID 115855904
N-[(2-ethyloxolan-3-yl)-(4-methyl-3-pyridinyl)methyl]ethanamine
CID 114104451
N-[(2-methylphenyl)-(oxolan-3-yl)methyl]ethanamine
CID 63563797
(4-methyl-3-pyridinyl)-(oxan-4-yl)methanol
CID 66272876
N-[(4-methyl-3-pyridinyl)-(thiolan-2-yl)methyl]ethanamine
CID 80627741
N-[oxolan-3-yl(pyrimidin-2-yl)methyl]ethanamine
CID 63565130
N-[(2,5-difluorophenyl)-(oxan-4-yl)methyl]ethanamine
CID 62907060
N-[(2-methoxy-4-methylphenyl)-(oxan-4-yl)methyl]ethanamine
CID 106792296
N-[[2-(difluoromethoxy)phenyl]-(oxan-4-yl)methyl]ethanamine
CID 115856059
5-chloro-3-[ethylamino(oxan-4-yl)methyl]pyridin-2-amine
CID 65334338
N-[cyclopropyl-(2-methyl-3-pyridinyl)methyl]ethanamine
CID 105157241
N-[cyclopropyl(pyridin-3-yl)methyl]ethanamine
CID 60923514

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-3-pyridinyl)-(oxan-4-yl)methyl]ethanamine?
The IUPAC name of N-[(4-methyl-3-pyridinyl)-(oxan-4-yl)methyl]ethanamine (CID 66272084) is N-[(4-methyl-3-pyridinyl)-(oxan-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-methyl-3-pyridinyl)-(oxan-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-methyl-3-pyridinyl)-(oxan-4-yl)methyl]ethanamine is CCNC(c1cnccc1C)C1CCOCC1.
What is the InChIKey of N-[(4-methyl-3-pyridinyl)-(oxan-4-yl)methyl]ethanamine?
The InChIKey is GJSWZLPLVNTCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-16-14(12-5-8-17-9-6-12)13-10-15-7-4-11(13)2/h4,7,10,12,14,16H,3,5-6,8-9H2,1-2H3.
What are the key properties of N-[(4-methyl-3-pyridinyl)-(oxan-4-yl)methyl]ethanamine?
N-[(4-methyl-3-pyridinyl)-(oxan-4-yl)methyl]ethanamine has a molecular weight of 234.34 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-3-pyridinyl)-(oxan-4-yl)methyl]ethanamine is sourced from PubChem (CID 66272084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).