1-[3-(4-ethylcyclohexyl)oxy-6-methyl-2-pyridinyl]-N-methylmethanamine

C16H26N2O — CID 79151658

IUPAC1-[3-(4-ethylcyclohexyl)oxy-6-methyl-2-pyridinyl]-N-methylmethanamine
SMILESCCC1CCC(Oc2ccc(C)nc2CNC)CC1
InChIInChI=1S/C16H26N2O/c1-4-13-6-8-14(9-7-13)19-16-10-5-12(2)18-15(16)11-17-3/h5,10,13-14,17H,4,6-9,11H2,1-3H3
InChIKeyQCYBPEDTWPAGGU-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.46
Rot. Bonds5

About 1-[3-(4-ethylcyclohexyl)oxy-6-methyl-2-pyridinyl]-N-methylmethanamine

1-[3-(4-ethylcyclohexyl)oxy-6-methyl-2-pyridinyl]-N-methylmethanamine (PubChem CID 79151658) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[3-(4-ethylcyclohexyl)oxy-6-methyl-2-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(4-ethylcyclohexyl)oxy-6-methyl-2-pyridinyl]-N-methylmethanamine
PubChem CID79151658
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[3-(4-ethylcyclohexyl)oxy-6-methyl-2-pyridinyl]-N-methylmethanamine
SMILESCCC1CCC(Oc2ccc(C)nc2CNC)CC1
InChIInChI=1S/C16H26N2O/c1-4-13-6-8-14(9-7-13)19-16-10-5-12(2)18-15(16)11-17-3/h5,10,13-14,17H,4,6-9,11H2,1-3H3
InChIKeyQCYBPEDTWPAGGU-UHFFFAOYSA-N
XLogP3.46
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-3-((S)-1-(6-methoxy-2-methyl-3-pyridyloxy)-3-methylbutyl)-pyrrolidine
CID 59536635
6-methoxy-2-methyl-3-[(1R)-3-methyl-1-[(3R)-pyrrolidin-3-yl]butoxy]pyridine
CID 73347369
6-methoxy-2-methyl-3-[(1S)-3-methyl-1-[(3R)-pyrrolidin-3-yl]butoxy]pyridine
CID 73348887
6-methoxy-2-methyl-3-[(1R)-3-methyl-1-[(3S)-pyrrolidin-3-yl]butoxy]pyridine
CID 73356510
2(1H)-Pyridinone, 5-ethyl-3-(((6-ethyl-3-methoxy-5-methyl-2-pyridinyl)methyl)amino)-6-methyl-
CID 454378
US10155760, Example 65
CID 118429839
US10155760, Example 228
CID 118429881
5-[[(2S)-azetidin-2-yl]methoxy]-2-phenylpyridine
CID 44327155
(2S)-N-methyl-1-phenyl-3-pyridin-3-yloxypropan-2-amine
CID 44340795
2-[2-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]-6-methylpyridine
CID 44362510
(2R)-2-[[3-fluoro-6-(2-fluoro-5-propan-2-yloxyphenyl)-2-pyridinyl]methylamino]-3-methylbutan-1-ol
CID 68312406
(2R)-2-[[3-fluoro-6-(3-fluoro-4-propan-2-yloxyphenyl)-2-pyridinyl]methylamino]-3-methylbutan-1-ol
CID 68312408

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-ethylcyclohexyl)oxy-6-methyl-2-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[3-(4-ethylcyclohexyl)oxy-6-methyl-2-pyridinyl]-N-methylmethanamine (CID 79151658) is 1-[3-(4-ethylcyclohexyl)oxy-6-methyl-2-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(4-ethylcyclohexyl)oxy-6-methyl-2-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(4-ethylcyclohexyl)oxy-6-methyl-2-pyridinyl]-N-methylmethanamine is CCC1CCC(Oc2ccc(C)nc2CNC)CC1.
What is the InChIKey of 1-[3-(4-ethylcyclohexyl)oxy-6-methyl-2-pyridinyl]-N-methylmethanamine?
The InChIKey is QCYBPEDTWPAGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-13-6-8-14(9-7-13)19-16-10-5-12(2)18-15(16)11-17-3/h5,10,13-14,17H,4,6-9,11H2,1-3H3.
What are the key properties of 1-[3-(4-ethylcyclohexyl)oxy-6-methyl-2-pyridinyl]-N-methylmethanamine?
1-[3-(4-ethylcyclohexyl)oxy-6-methyl-2-pyridinyl]-N-methylmethanamine has a molecular weight of 262.40 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-ethylcyclohexyl)oxy-6-methyl-2-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 79151658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).