N-[[6-(azepan-1-yl)-5-methyl-3-pyridinyl]methyl]-2-methoxyethanamine

C16H27N3O — CID 80629363

IUPACN-[[6-(azepan-1-yl)-5-methyl-3-pyridinyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cnc(N2CCCCCC2)c(C)c1
InChIInChI=1S/C16H27N3O/c1-14-11-15(12-17-7-10-20-2)13-18-16(14)19-8-5-3-4-6-9-19/h11,13,17H,3-10,12H2,1-2H3
InChIKeyRZEIUKCHFHFYEL-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.51
Rot. Bonds6

About N-[[6-(azepan-1-yl)-5-methyl-3-pyridinyl]methyl]-2-methoxyethanamine

N-[[6-(azepan-1-yl)-5-methyl-3-pyridinyl]methyl]-2-methoxyethanamine (PubChem CID 80629363) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[[6-(azepan-1-yl)-5-methyl-3-pyridinyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[6-(azepan-1-yl)-5-methyl-3-pyridinyl]methyl]-2-methoxyethanamine
PubChem CID80629363
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[[6-(azepan-1-yl)-5-methyl-3-pyridinyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cnc(N2CCCCCC2)c(C)c1
InChIInChI=1S/C16H27N3O/c1-14-11-15(12-17-7-10-20-2)13-18-16(14)19-8-5-3-4-6-9-19/h11,13,17H,3-10,12H2,1-2H3
InChIKeyRZEIUKCHFHFYEL-UHFFFAOYSA-N
XLogP2.51
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(5-methyl-6-piperidin-1-yl-3-pyridinyl)methyl]propan-1-amine
CID 80629285
N-[(5-methyl-6-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-1-amine
CID 80629075
2-methoxy-N-[[6-[3-(methoxymethyl)pyrrolidin-1-yl]-5-methyl-3-pyridinyl]methyl]ethanamine
CID 80638789
2-methoxy-N-[[5-methyl-6-(2-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 80636876
2-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]ethanamine
CID 80628704
(5-methyl-6-piperidin-1-yl-3-pyridinyl)methanamine
CID 79885911
N-[[5-methyl-6-(1,4-thiazepan-4-yl)-3-pyridinyl]methyl]propan-1-amine
CID 80629616
[6-(azepan-1-yl)-5-methyl-3-pyridinyl]methanol
CID 79884523
N-[[6-(3-methoxypiperidin-1-yl)-5-methyl-3-pyridinyl]methyl]propan-1-amine
CID 102961607
N-[[6-(4-ethylazepan-1-yl)-5-methyl-3-pyridinyl]methyl]propan-1-amine
CID 80638418
N-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methyl-3-pyridinyl]methyl]propan-1-amine
CID 80630835
N-cyclohexyl-5-[(2-methoxyethylamino)methyl]-N,3-dimethylpyridin-2-amine
CID 80631236

Frequently Asked Questions

What is the IUPAC name of N-[[6-(azepan-1-yl)-5-methyl-3-pyridinyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[6-(azepan-1-yl)-5-methyl-3-pyridinyl]methyl]-2-methoxyethanamine (CID 80629363) is N-[[6-(azepan-1-yl)-5-methyl-3-pyridinyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[6-(azepan-1-yl)-5-methyl-3-pyridinyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[6-(azepan-1-yl)-5-methyl-3-pyridinyl]methyl]-2-methoxyethanamine is COCCNCc1cnc(N2CCCCCC2)c(C)c1.
What is the InChIKey of N-[[6-(azepan-1-yl)-5-methyl-3-pyridinyl]methyl]-2-methoxyethanamine?
The InChIKey is RZEIUKCHFHFYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-14-11-15(12-17-7-10-20-2)13-18-16(14)19-8-5-3-4-6-9-19/h11,13,17H,3-10,12H2,1-2H3.
What are the key properties of N-[[6-(azepan-1-yl)-5-methyl-3-pyridinyl]methyl]-2-methoxyethanamine?
N-[[6-(azepan-1-yl)-5-methyl-3-pyridinyl]methyl]-2-methoxyethanamine has a molecular weight of 277.41 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(azepan-1-yl)-5-methyl-3-pyridinyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 80629363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).