2-cyclohexyl-2-ethoxy-1-(4-methyl-3-pyridinyl)ethanamine

C16H26N2O — CID 116772054

IUPAC2-cyclohexyl-2-ethoxy-1-(4-methyl-3-pyridinyl)ethanamine
SMILESCCOC(C1CCCCC1)C(N)c1cnccc1C
InChIInChI=1S/C16H26N2O/c1-3-19-16(13-7-5-4-6-8-13)15(17)14-11-18-10-9-12(14)2/h9-11,13,15-16H,3-8,17H2,1-2H3
InChIKeyBDKWPQKVCMUSEZ-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.38
Rot. Bonds5

About 2-cyclohexyl-2-ethoxy-1-(4-methyl-3-pyridinyl)ethanamine

2-cyclohexyl-2-ethoxy-1-(4-methyl-3-pyridinyl)ethanamine (PubChem CID 116772054) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-cyclohexyl-2-ethoxy-1-(4-methyl-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-cyclohexyl-2-ethoxy-1-(4-methyl-3-pyridinyl)ethanamine
PubChem CID116772054
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-cyclohexyl-2-ethoxy-1-(4-methyl-3-pyridinyl)ethanamine
SMILESCCOC(C1CCCCC1)C(N)c1cnccc1C
InChIInChI=1S/C16H26N2O/c1-3-19-16(13-7-5-4-6-8-13)15(17)14-11-18-10-9-12(14)2/h9-11,13,15-16H,3-8,17H2,1-2H3
InChIKeyBDKWPQKVCMUSEZ-UHFFFAOYSA-N
XLogP3.38
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-amino-2-cyclohexyl-2-ethoxyethyl)pyridin-2-amine
CID 116772126
2-cyclohexyl-2-ethoxy-1-(2-ethoxyphenyl)ethanamine
CID 116771976
2-cyclohexyl-2-ethoxy-1-(3-fluoro-4-methylphenyl)ethanamine
CID 107129246
2-cyclohexyl-2-ethoxy-1-(4-fluoro-3-methylphenyl)ethanamine
CID 116772073
cycloheptyl-(4-methyl-3-pyridinyl)methanol
CID 66273523
2-cyclohexyl-1-(2,5-dimethylphenyl)-2-ethoxyethanol
CID 116756745
[2-cyclohexyl-2-ethoxy-1-(2-methylphenyl)ethyl]hydrazine
CID 105278786
3-(diethoxymethyl)-4-methylpyridine
CID 55269894
1-cyclohexyl-3-(2,6-dimethylphenyl)-1-ethoxypropan-2-amine
CID 116772041
1-(3-chlorothiophen-2-yl)-2-cyclohexyl-2-ethoxyethanamine
CID 107360324
2-cyclopropyl-2-ethoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol
CID 102707917
1-(2-amino-5-methyl-3-pyridinyl)-2-cyclohexyl-2-ethoxyethanol
CID 116756726

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-ethoxy-1-(4-methyl-3-pyridinyl)ethanamine?
The IUPAC name of 2-cyclohexyl-2-ethoxy-1-(4-methyl-3-pyridinyl)ethanamine (CID 116772054) is 2-cyclohexyl-2-ethoxy-1-(4-methyl-3-pyridinyl)ethanamine.
What is the SMILES notation for 2-cyclohexyl-2-ethoxy-1-(4-methyl-3-pyridinyl)ethanamine?
The canonical SMILES for 2-cyclohexyl-2-ethoxy-1-(4-methyl-3-pyridinyl)ethanamine is CCOC(C1CCCCC1)C(N)c1cnccc1C.
What is the InChIKey of 2-cyclohexyl-2-ethoxy-1-(4-methyl-3-pyridinyl)ethanamine?
The InChIKey is BDKWPQKVCMUSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-19-16(13-7-5-4-6-8-13)15(17)14-11-18-10-9-12(14)2/h9-11,13,15-16H,3-8,17H2,1-2H3.
What are the key properties of 2-cyclohexyl-2-ethoxy-1-(4-methyl-3-pyridinyl)ethanamine?
2-cyclohexyl-2-ethoxy-1-(4-methyl-3-pyridinyl)ethanamine has a molecular weight of 262.40 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-ethoxy-1-(4-methyl-3-pyridinyl)ethanamine is sourced from PubChem (CID 116772054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).