1-(1-ethoxycyclohexyl)-N-ethyl-2-pyridin-3-ylethanamine

C17H28N2O — CID 116764064

IUPAC1-(1-ethoxycyclohexyl)-N-ethyl-2-pyridin-3-ylethanamine
SMILESCCNC(Cc1cccnc1)C1(OCC)CCCCC1
InChIInChI=1S/C17H28N2O/c1-3-19-16(13-15-9-8-12-18-14-15)17(20-4-2)10-6-5-7-11-17/h8-9,12,14,16,19H,3-7,10-11,13H2,1-2H3
InChIKeyYFEYDSHZZLYFJA-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.34
Rot. Bonds7

About 1-(1-ethoxycyclohexyl)-N-ethyl-2-pyridin-3-ylethanamine

1-(1-ethoxycyclohexyl)-N-ethyl-2-pyridin-3-ylethanamine (PubChem CID 116764064) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-(1-ethoxycyclohexyl)-N-ethyl-2-pyridin-3-ylethanamine.

Molecular Properties

Compound Name1-(1-ethoxycyclohexyl)-N-ethyl-2-pyridin-3-ylethanamine
PubChem CID116764064
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-(1-ethoxycyclohexyl)-N-ethyl-2-pyridin-3-ylethanamine
SMILESCCNC(Cc1cccnc1)C1(OCC)CCCCC1
InChIInChI=1S/C17H28N2O/c1-3-19-16(13-15-9-8-12-18-14-15)17(20-4-2)10-6-5-7-11-17/h8-9,12,14,16,19H,3-7,10-11,13H2,1-2H3
InChIKeyYFEYDSHZZLYFJA-UHFFFAOYSA-N
XLogP3.34
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethoxycyclohexyl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 116764071
2-(3-chlorophenyl)-1-(1-ethoxycyclohexyl)-N-ethylethanamine
CID 116764102
1-(1-ethoxycyclopentyl)-N-ethyl-2-(3-methylphenyl)ethanamine
CID 116762276
[1-(4-ethoxyoxan-4-yl)-2-pyridin-3-ylethyl]hydrazine
CID 105276863
1-(1-ethoxycycloheptyl)-N-ethyl-2-thiophen-3-ylethanamine
CID 116771017
1-(1-ethoxycyclopentyl)-N-ethyl-3-phenylpropan-1-amine
CID 116762128
1-(1-ethoxycyclopentyl)-N-ethyl-2-(5-ethyl-2-pyridinyl)ethanamine
CID 116762224
1-(1-ethoxy-4-methylcyclohexyl)-N-ethyl-2-pyridin-4-ylethanamine
CID 116767285
(1-ethoxycyclohexyl)-pyridin-3-ylmethanol
CID 116753647
2-(5-chlorothiophen-2-yl)-1-(1-ethoxycyclohexyl)-N-ethylethanamine
CID 116764052
(1-ethoxycyclopentyl)-pyridin-3-ylmethanamine
CID 116761702
N-[1-(2-methyloxolan-2-yl)-2-pyridin-3-ylethyl]propan-1-amine
CID 104736619

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxycyclohexyl)-N-ethyl-2-pyridin-3-ylethanamine?
The IUPAC name of 1-(1-ethoxycyclohexyl)-N-ethyl-2-pyridin-3-ylethanamine (CID 116764064) is 1-(1-ethoxycyclohexyl)-N-ethyl-2-pyridin-3-ylethanamine.
What is the SMILES notation for 1-(1-ethoxycyclohexyl)-N-ethyl-2-pyridin-3-ylethanamine?
The canonical SMILES for 1-(1-ethoxycyclohexyl)-N-ethyl-2-pyridin-3-ylethanamine is CCNC(Cc1cccnc1)C1(OCC)CCCCC1.
What is the InChIKey of 1-(1-ethoxycyclohexyl)-N-ethyl-2-pyridin-3-ylethanamine?
The InChIKey is YFEYDSHZZLYFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-19-16(13-15-9-8-12-18-14-15)17(20-4-2)10-6-5-7-11-17/h8-9,12,14,16,19H,3-7,10-11,13H2,1-2H3.
What are the key properties of 1-(1-ethoxycyclohexyl)-N-ethyl-2-pyridin-3-ylethanamine?
1-(1-ethoxycyclohexyl)-N-ethyl-2-pyridin-3-ylethanamine has a molecular weight of 276.42 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxycyclohexyl)-N-ethyl-2-pyridin-3-ylethanamine is sourced from PubChem (CID 116764064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).