N-[[6-methyl-3-[2-(1-methylpiperidin-2-yl)ethoxy]-2-pyridinyl]methyl]ethanamine

C17H29N3O — CID 107911121

IUPACN-[[6-methyl-3-[2-(1-methylpiperidin-2-yl)ethoxy]-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1nc(C)ccc1OCCC1CCCCN1C
InChIInChI=1S/C17H29N3O/c1-4-18-13-16-17(9-8-14(2)19-16)21-12-10-15-7-5-6-11-20(15)3/h8-9,15,18H,4-7,10-13H2,1-3H3
InChIKeyQASKNFYQNNHJST-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.75
Rot. Bonds7

About N-[[6-methyl-3-[2-(1-methylpiperidin-2-yl)ethoxy]-2-pyridinyl]methyl]ethanamine

N-[[6-methyl-3-[2-(1-methylpiperidin-2-yl)ethoxy]-2-pyridinyl]methyl]ethanamine (PubChem CID 107911121) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[[6-methyl-3-[2-(1-methylpiperidin-2-yl)ethoxy]-2-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-methyl-3-[2-(1-methylpiperidin-2-yl)ethoxy]-2-pyridinyl]methyl]ethanamine
PubChem CID107911121
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-[[6-methyl-3-[2-(1-methylpiperidin-2-yl)ethoxy]-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1nc(C)ccc1OCCC1CCCCN1C
InChIInChI=1S/C17H29N3O/c1-4-18-13-16-17(9-8-14(2)19-16)21-12-10-15-7-5-6-11-20(15)3/h8-9,15,18H,4-7,10-13H2,1-3H3
InChIKeyQASKNFYQNNHJST-UHFFFAOYSA-N
XLogP2.75
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-methyl-3-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]methyl]ethanamine
CID 79151286
N-[[2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]ethanamine
CID 107911038
N-[[3-[2-(1-methylpyrrolidin-2-yl)ethoxy]-4-pyridinyl]methyl]ethanamine
CID 105075391
N-[[6-methyl-3-(oxan-2-ylmethoxy)-2-pyridinyl]methyl]ethanamine
CID 79150975
N-[[3-chloro-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]ethanamine
CID 107911151
N-[(3-but-3-enoxy-6-methyl-2-pyridinyl)methyl]ethanamine
CID 79151520
1-methyl-2-[2-[4-methyl-2-[[5-methyl-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]phenoxy]ethyl]piperidine
CID 20738685
N-ethyl-4-methyl-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidin-2-amine
CID 80871209
4-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]-2,2-dimethylbutanenitrile
CID 79151514
N-methyl-1-[6-methyl-3-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]methanamine
CID 79150803
N-[[6-methyl-3-(3-phenylpropoxy)-2-pyridinyl]methyl]ethanamine
CID 79157323
1-methyl-2-[2-(2-methylphenoxy)ethyl]pyrrolidine
CID 23339324

Frequently Asked Questions

What is the IUPAC name of N-[[6-methyl-3-[2-(1-methylpiperidin-2-yl)ethoxy]-2-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[6-methyl-3-[2-(1-methylpiperidin-2-yl)ethoxy]-2-pyridinyl]methyl]ethanamine (CID 107911121) is N-[[6-methyl-3-[2-(1-methylpiperidin-2-yl)ethoxy]-2-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[6-methyl-3-[2-(1-methylpiperidin-2-yl)ethoxy]-2-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[6-methyl-3-[2-(1-methylpiperidin-2-yl)ethoxy]-2-pyridinyl]methyl]ethanamine is CCNCc1nc(C)ccc1OCCC1CCCCN1C.
What is the InChIKey of N-[[6-methyl-3-[2-(1-methylpiperidin-2-yl)ethoxy]-2-pyridinyl]methyl]ethanamine?
The InChIKey is QASKNFYQNNHJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-4-18-13-16-17(9-8-14(2)19-16)21-12-10-15-7-5-6-11-20(15)3/h8-9,15,18H,4-7,10-13H2,1-3H3.
What are the key properties of N-[[6-methyl-3-[2-(1-methylpiperidin-2-yl)ethoxy]-2-pyridinyl]methyl]ethanamine?
N-[[6-methyl-3-[2-(1-methylpiperidin-2-yl)ethoxy]-2-pyridinyl]methyl]ethanamine has a molecular weight of 291.44 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-methyl-3-[2-(1-methylpiperidin-2-yl)ethoxy]-2-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 107911121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).