1-(1-ethoxy-3-methylcyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanamine

C18H30N2O — CID 116768070

IUPAC1-(1-ethoxy-3-methylcyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanamine
SMILESCCOC1(C(N)Cc2ccc(CC)cn2)CCCC(C)C1
InChIInChI=1S/C18H30N2O/c1-4-15-8-9-16(20-13-15)11-17(19)18(21-5-2)10-6-7-14(3)12-18/h8-9,13-14,17H,4-7,10-12,19H2,1-3H3
InChIKeyREXBSOHTJUOVBS-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.50
Rot. Bonds6

About 1-(1-ethoxy-3-methylcyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanamine

1-(1-ethoxy-3-methylcyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanamine (PubChem CID 116768070) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-(1-ethoxy-3-methylcyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name1-(1-ethoxy-3-methylcyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanamine
PubChem CID116768070
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name1-(1-ethoxy-3-methylcyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanamine
SMILESCCOC1(C(N)Cc2ccc(CC)cn2)CCCC(C)C1
InChIInChI=1S/C18H30N2O/c1-4-15-8-9-16(20-13-15)11-17(19)18(21-5-2)10-6-7-14(3)12-18/h8-9,13-14,17H,4-7,10-12,19H2,1-3H3
InChIKeyREXBSOHTJUOVBS-UHFFFAOYSA-N
XLogP3.50
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanamine
CID 116768047
1-(1-ethoxy-3-methylcyclohexyl)-2-phenylethanamine
CID 116768003
1-(1-ethoxy-3-methylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 116768134
2-(5-bromo-2-pyridinyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine
CID 116767724
2-(5-bromo-3-pyridinyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanamine
CID 116768183
1-(1-ethoxy-3-methylcyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanone
CID 116749979
1-(1-ethoxy-3-methylcyclohexyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 116767958
1-(1-ethoxycyclopentyl)-N-ethyl-2-(5-ethyl-2-pyridinyl)ethanamine
CID 116762224
1-(1-ethoxy-3-methylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114348409
2-cyclopropyl-1-(1-ethoxy-3-methylcyclohexyl)ethanamine
CID 116767988
2-(5-ethyl-2-pyridinyl)-1-(1-methylcyclohexyl)ethanamine
CID 106830386
2-(2-chloro-5-fluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanamine
CID 102619404

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxy-3-methylcyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanamine?
The IUPAC name of 1-(1-ethoxy-3-methylcyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanamine (CID 116768070) is 1-(1-ethoxy-3-methylcyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanamine.
What is the SMILES notation for 1-(1-ethoxy-3-methylcyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanamine?
The canonical SMILES for 1-(1-ethoxy-3-methylcyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanamine is CCOC1(C(N)Cc2ccc(CC)cn2)CCCC(C)C1.
What is the InChIKey of 1-(1-ethoxy-3-methylcyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanamine?
The InChIKey is REXBSOHTJUOVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-15-8-9-16(20-13-15)11-17(19)18(21-5-2)10-6-7-14(3)12-18/h8-9,13-14,17H,4-7,10-12,19H2,1-3H3.
What are the key properties of 1-(1-ethoxy-3-methylcyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanamine?
1-(1-ethoxy-3-methylcyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanamine has a molecular weight of 290.45 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxy-3-methylcyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanamine is sourced from PubChem (CID 116768070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).