2-cyclohexyl-2-ethoxy-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine

C17H28N2O — CID 116772313

IUPAC2-cyclohexyl-2-ethoxy-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine
SMILESCCOC(C1CCCCC1)C(NC)c1ccc(C)nc1
InChIInChI=1S/C17H28N2O/c1-4-20-17(14-8-6-5-7-9-14)16(18-3)15-11-10-13(2)19-12-15/h10-12,14,16-18H,4-9H2,1-3H3
InChIKeyMLPDFTRGXUJKJD-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.64
Rot. Bonds6

About 2-cyclohexyl-2-ethoxy-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine

2-cyclohexyl-2-ethoxy-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine (PubChem CID 116772313) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-cyclohexyl-2-ethoxy-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-cyclohexyl-2-ethoxy-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine
PubChem CID116772313
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-cyclohexyl-2-ethoxy-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine
SMILESCCOC(C1CCCCC1)C(NC)c1ccc(C)nc1
InChIInChI=1S/C17H28N2O/c1-4-20-17(14-8-6-5-7-9-14)16(18-3)15-11-10-13(2)19-12-15/h10-12,14,16-18H,4-9H2,1-3H3
InChIKeyMLPDFTRGXUJKJD-UHFFFAOYSA-N
XLogP3.64
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-ethoxy-N-ethyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 116723795
1-cycloheptyl-N-methyl-1-(6-methyl-3-pyridinyl)methanamine
CID 65400041
2-cyclohexyl-2-ethoxy-1-(3-fluorophenyl)-N-methylethanamine
CID 116772276
2-cyclopropyl-2-ethoxy-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
CID 116723290
2-cyclohexyl-2-ethoxy-N-methyl-1-(3-methylthiophen-2-yl)ethanamine
CID 116772255
2-ethyl-N-methyl-1-(6-methyl-3-pyridinyl)butan-1-amine
CID 115854887
1-(5-chlorothiophen-2-yl)-2-cyclohexyl-2-ethoxy-N-methylethanamine
CID 116772291
ethyl 2-(cyclohexylamino)-2-(6-methyl-3-pyridinyl)acetate
CID 104822573
2-cyclopropyl-2-ethoxy-1-(5-fluoro-3-pyridinyl)-N-methylethanamine
CID 116723469
2-cycloheptyl-N-ethyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 115854866
2-cyclopropyl-2-ethoxy-1-(3-fluoro-5-methylphenyl)-N-methylethanamine
CID 116723511
2-(cyclohexylamino)-1-(6-methyl-3-pyridinyl)ethanol
CID 56694973

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-ethoxy-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine?
The IUPAC name of 2-cyclohexyl-2-ethoxy-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine (CID 116772313) is 2-cyclohexyl-2-ethoxy-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine.
What is the SMILES notation for 2-cyclohexyl-2-ethoxy-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine?
The canonical SMILES for 2-cyclohexyl-2-ethoxy-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine is CCOC(C1CCCCC1)C(NC)c1ccc(C)nc1.
What is the InChIKey of 2-cyclohexyl-2-ethoxy-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine?
The InChIKey is MLPDFTRGXUJKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-20-17(14-8-6-5-7-9-14)16(18-3)15-11-10-13(2)19-12-15/h10-12,14,16-18H,4-9H2,1-3H3.
What are the key properties of 2-cyclohexyl-2-ethoxy-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine?
2-cyclohexyl-2-ethoxy-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine has a molecular weight of 276.42 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-ethoxy-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine is sourced from PubChem (CID 116772313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).