(1-ethoxy-3-ethylcyclohexyl)methanamine

C11H23NO — CID 66072990

IUPAC(1-ethoxy-3-ethylcyclohexyl)methanamine
SMILESCCOC1(CN)CCCC(CC)C1
InChIInChI=1S/C11H23NO/c1-3-10-6-5-7-11(8-10,9-12)13-4-2/h10H,3-9,12H2,1-2H3
InChIKeyAEDCAVIJOZSWOB-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.32
Rot. Bonds4

About (1-ethoxy-3-ethylcyclohexyl)methanamine

(1-ethoxy-3-ethylcyclohexyl)methanamine (PubChem CID 66072990) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is (1-ethoxy-3-ethylcyclohexyl)methanamine.

Molecular Properties

Compound Name(1-ethoxy-3-ethylcyclohexyl)methanamine
PubChem CID66072990
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name(1-ethoxy-3-ethylcyclohexyl)methanamine
SMILESCCOC1(CN)CCCC(CC)C1
InChIInChI=1S/C11H23NO/c1-3-10-6-5-7-11(8-10,9-12)13-4-2/h10H,3-9,12H2,1-2H3
InChIKeyAEDCAVIJOZSWOB-UHFFFAOYSA-N
XLogP2.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-ethoxy-4-ethylcycloheptyl)methanamine
CID 66073194
[(1R,3R)-3-ethyl-1-methylcyclohexyl]methanamine
CID 124509465
[3-(4-ethylcyclohexyl)oxyoxan-3-yl]methanamine
CID 65051716
[1-(2-ethoxyethoxy)-4-ethylcyclohexyl]methanamine
CID 62107731
(1-methoxy-4-propylcycloheptyl)methanamine
CID 66073417
[1-(cyclobutylmethoxy)-3-methylcyclopentyl]methanamine
CID 65458688
2-[1-(aminomethyl)-3-ethylcyclohexyl]-1-ethoxypropan-2-ol
CID 113493350
2-[1-(aminomethyl)-3-ethylcyclohexyl]-3-methylbutan-2-ol
CID 79126503
1-[1-(aminomethyl)-3-ethylcyclohexyl]-2-methylbutan-1-ol
CID 79139004
1-[1-(aminomethyl)-3-ethylcyclohexyl]cyclohexan-1-ol
CID 79127098
1-[1-(aminomethyl)-3-ethylcyclopentyl]-3-ethylcyclohexan-1-ol
CID 79124179
[3-(3-ethylcyclohexyl)oxyoxan-3-yl]methanamine
CID 65051664

Frequently Asked Questions

What is the IUPAC name of (1-ethoxy-3-ethylcyclohexyl)methanamine?
The IUPAC name of (1-ethoxy-3-ethylcyclohexyl)methanamine (CID 66072990) is (1-ethoxy-3-ethylcyclohexyl)methanamine.
What is the SMILES notation for (1-ethoxy-3-ethylcyclohexyl)methanamine?
The canonical SMILES for (1-ethoxy-3-ethylcyclohexyl)methanamine is CCOC1(CN)CCCC(CC)C1.
What is the InChIKey of (1-ethoxy-3-ethylcyclohexyl)methanamine?
The InChIKey is AEDCAVIJOZSWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-3-10-6-5-7-11(8-10,9-12)13-4-2/h10H,3-9,12H2,1-2H3.
What are the key properties of (1-ethoxy-3-ethylcyclohexyl)methanamine?
(1-ethoxy-3-ethylcyclohexyl)methanamine has a molecular weight of 185.31 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxy-3-ethylcyclohexyl)methanamine is sourced from PubChem (CID 66072990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).