1-(1-methoxy-3-methylcyclohexyl)-2-pyridin-4-ylethanamine

C15H24N2O — CID 116767493

IUPAC1-(1-methoxy-3-methylcyclohexyl)-2-pyridin-4-ylethanamine
SMILESCOC1(C(N)Cc2ccncc2)CCCC(C)C1
InChIInChI=1S/C15H24N2O/c1-12-4-3-7-15(11-12,18-2)14(16)10-13-5-8-17-9-6-13/h5-6,8-9,12,14H,3-4,7,10-11,16H2,1-2H3
InChIKeyCZWMFRRWSMSTQI-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.55
Rot. Bonds4

About 1-(1-methoxy-3-methylcyclohexyl)-2-pyridin-4-ylethanamine

1-(1-methoxy-3-methylcyclohexyl)-2-pyridin-4-ylethanamine (PubChem CID 116767493) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(1-methoxy-3-methylcyclohexyl)-2-pyridin-4-ylethanamine.

Molecular Properties

Compound Name1-(1-methoxy-3-methylcyclohexyl)-2-pyridin-4-ylethanamine
PubChem CID116767493
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-(1-methoxy-3-methylcyclohexyl)-2-pyridin-4-ylethanamine
SMILESCOC1(C(N)Cc2ccncc2)CCCC(C)C1
InChIInChI=1S/C15H24N2O/c1-12-4-3-7-15(11-12,18-2)14(16)10-13-5-8-17-9-6-13/h5-6,8-9,12,14H,3-4,7,10-11,16H2,1-2H3
InChIKeyCZWMFRRWSMSTQI-UHFFFAOYSA-N
XLogP2.55
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methoxycyclopentyl)-2-pyridin-4-ylethanamine
CID 104610554
2-(3,5-dimethylphenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine
CID 116767540
2-(5-bromo-2-pyridinyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine
CID 116767724
1-(1-ethoxy-3-methylcyclohexyl)-2-phenylethanamine
CID 116768003
2-(4-chlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanamine
CID 116768047
2-(5-fluoro-2-methylphenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine
CID 105374421
2-(2-ethyl-1,2,4-triazol-3-yl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine
CID 116767607
1-(1-methoxy-3-methylcyclohexyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103012543
2-(3-bromo-2,6-difluorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine
CID 106268671
2-(4-bromo-2-chlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine
CID 116767463
1-(1-methoxycyclopentyl)-2-(4-methylphenyl)ethanamine
CID 104610637
[2-(3-chloro-4-pyridinyl)-1-(1-methoxy-3-methylcyclohexyl)ethyl]hydrazine
CID 105277526

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxy-3-methylcyclohexyl)-2-pyridin-4-ylethanamine?
The IUPAC name of 1-(1-methoxy-3-methylcyclohexyl)-2-pyridin-4-ylethanamine (CID 116767493) is 1-(1-methoxy-3-methylcyclohexyl)-2-pyridin-4-ylethanamine.
What is the SMILES notation for 1-(1-methoxy-3-methylcyclohexyl)-2-pyridin-4-ylethanamine?
The canonical SMILES for 1-(1-methoxy-3-methylcyclohexyl)-2-pyridin-4-ylethanamine is COC1(C(N)Cc2ccncc2)CCCC(C)C1.
What is the InChIKey of 1-(1-methoxy-3-methylcyclohexyl)-2-pyridin-4-ylethanamine?
The InChIKey is CZWMFRRWSMSTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12-4-3-7-15(11-12,18-2)14(16)10-13-5-8-17-9-6-13/h5-6,8-9,12,14H,3-4,7,10-11,16H2,1-2H3.
What are the key properties of 1-(1-methoxy-3-methylcyclohexyl)-2-pyridin-4-ylethanamine?
1-(1-methoxy-3-methylcyclohexyl)-2-pyridin-4-ylethanamine has a molecular weight of 248.37 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxy-3-methylcyclohexyl)-2-pyridin-4-ylethanamine is sourced from PubChem (CID 116767493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).