2-methoxy-N-[(4-methyl-1-pyridin-3-ylcyclohexyl)methyl]ethanamine

C16H26N2O — CID 80523629

IUPAC2-methoxy-N-[(4-methyl-1-pyridin-3-ylcyclohexyl)methyl]ethanamine
SMILESCOCCNCC1(c2cccnc2)CCC(C)CC1
InChIInChI=1S/C16H26N2O/c1-14-5-7-16(8-6-14,13-18-10-11-19-2)15-4-3-9-17-12-15/h3-4,9,12,14,18H,5-8,10-11,13H2,1-2H3
InChIKeyDJTKYIBPJOEROC-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.77
Rot. Bonds6

About 2-methoxy-N-[(4-methyl-1-pyridin-3-ylcyclohexyl)methyl]ethanamine

2-methoxy-N-[(4-methyl-1-pyridin-3-ylcyclohexyl)methyl]ethanamine (PubChem CID 80523629) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-methoxy-N-[(4-methyl-1-pyridin-3-ylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[(4-methyl-1-pyridin-3-ylcyclohexyl)methyl]ethanamine
PubChem CID80523629
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-methoxy-N-[(4-methyl-1-pyridin-3-ylcyclohexyl)methyl]ethanamine
SMILESCOCCNCC1(c2cccnc2)CCC(C)CC1
InChIInChI=1S/C16H26N2O/c1-14-5-7-16(8-6-14,13-18-10-11-19-2)15-4-3-9-17-12-15/h3-4,9,12,14,18H,5-8,10-11,13H2,1-2H3
InChIKeyDJTKYIBPJOEROC-UHFFFAOYSA-N
XLogP2.77
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[(2-methyl-1-pyridin-3-ylcyclopentyl)methyl]ethanamine
CID 80522892
N-[(3,3-diethyl-1-pyridin-3-ylcyclobutyl)methyl]-2-methoxyethanamine
CID 80522394
2-methoxy-N-[(1-pyridin-4-ylcyclobutyl)methyl]ethanamine
CID 80525289
N-methyl-1-(1-pyridin-3-ylcyclobutyl)methanamine
CID 80522291
2-methyl-N-[(3-methyl-1-pyridin-3-ylcyclobutyl)methyl]propan-1-amine
CID 80522198
N-[(2-pyridin-3-ylspiro[3.3]heptan-2-yl)methyl]ethanamine
CID 80522715
2-methyl-N-[(1-pyridin-3-ylcyclohexyl)methyl]propan-1-amine
CID 80522632
2-methoxy-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride
CID 17294523
2-methoxy-N-[(1-pyridin-4-ylcyclopent-3-en-1-yl)methyl]ethanamine
CID 80525666
1-[(2-methoxyethylamino)methyl]-4-methylcyclohexan-1-ol
CID 62773369
N-[[1-(3-fluorophenyl)cycloheptyl]methyl]-2-methoxyethanamine
CID 62596617
2-methoxy-N-[(2-pyridin-3-yloxolan-3-yl)methyl]ethanamine
CID 79365253

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(4-methyl-1-pyridin-3-ylcyclohexyl)methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[(4-methyl-1-pyridin-3-ylcyclohexyl)methyl]ethanamine (CID 80523629) is 2-methoxy-N-[(4-methyl-1-pyridin-3-ylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[(4-methyl-1-pyridin-3-ylcyclohexyl)methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[(4-methyl-1-pyridin-3-ylcyclohexyl)methyl]ethanamine is COCCNCC1(c2cccnc2)CCC(C)CC1.
What is the InChIKey of 2-methoxy-N-[(4-methyl-1-pyridin-3-ylcyclohexyl)methyl]ethanamine?
The InChIKey is DJTKYIBPJOEROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-14-5-7-16(8-6-14,13-18-10-11-19-2)15-4-3-9-17-12-15/h3-4,9,12,14,18H,5-8,10-11,13H2,1-2H3.
What are the key properties of 2-methoxy-N-[(4-methyl-1-pyridin-3-ylcyclohexyl)methyl]ethanamine?
2-methoxy-N-[(4-methyl-1-pyridin-3-ylcyclohexyl)methyl]ethanamine has a molecular weight of 262.40 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(4-methyl-1-pyridin-3-ylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 80523629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).