2-[1-(aminomethyl)-3-ethylcyclohexyl]-1-ethoxypropan-2-ol

C14H29NO2 — CID 113493350

IUPAC2-[1-(aminomethyl)-3-ethylcyclohexyl]-1-ethoxypropan-2-ol
SMILESCCOCC(C)(O)C1(CN)CCCC(CC)C1
InChIInChI=1S/C14H29NO2/c1-4-12-7-6-8-14(9-12,10-15)13(3,16)11-17-5-2/h12,16H,4-11,15H2,1-3H3
InChIKeyCOGKFFJLUDBYOF-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.32
Rot. Bonds6

About 2-[1-(aminomethyl)-3-ethylcyclohexyl]-1-ethoxypropan-2-ol

2-[1-(aminomethyl)-3-ethylcyclohexyl]-1-ethoxypropan-2-ol (PubChem CID 113493350) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-[1-(aminomethyl)-3-ethylcyclohexyl]-1-ethoxypropan-2-ol.

Molecular Properties

Compound Name2-[1-(aminomethyl)-3-ethylcyclohexyl]-1-ethoxypropan-2-ol
PubChem CID113493350
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name2-[1-(aminomethyl)-3-ethylcyclohexyl]-1-ethoxypropan-2-ol
SMILESCCOCC(C)(O)C1(CN)CCCC(CC)C1
InChIInChI=1S/C14H29NO2/c1-4-12-7-6-8-14(9-12,10-15)13(3,16)11-17-5-2/h12,16H,4-11,15H2,1-3H3
InChIKeyCOGKFFJLUDBYOF-UHFFFAOYSA-N
XLogP2.32
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(aminomethyl)-3-ethylcyclohexyl]-1-cyclopropylethanol
CID 79128708
2-[1-(aminomethyl)-3-ethylcyclopentyl]butan-2-ol
CID 79126495
2-[1-(aminomethyl)-3-ethylcyclohexyl]-3-methylbutan-2-ol
CID 79126503
1-[1-(aminomethyl)-3-ethylcyclohexyl]-1-(4-methoxyphenyl)ethanol
CID 79125169
2-[1-(aminomethyl)-3-ethylcyclopentyl]-2-hydroxypropanal
CID 79125297
1-[1-(aminomethyl)-3-ethylcyclohexyl]-1-(3-methylthiophen-2-yl)ethanol
CID 79124585
(1-ethoxy-3-ethylcyclohexyl)methanamine
CID 66072990
2-[1-(aminomethyl)-4-methylcyclohexyl]butan-2-ol
CID 79126658
[(1R,3R)-3-ethyl-1-methylcyclohexyl]methanamine
CID 124509465
1-[1-(aminomethyl)-3-ethylcyclohexyl]-2-methylbutan-1-ol
CID 79139004
[3-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methanamine
CID 65400454
2-[1-(aminomethyl)-4-ethylcyclohexyl]-3-methylpentan-2-ol
CID 79135119

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)-3-ethylcyclohexyl]-1-ethoxypropan-2-ol?
The IUPAC name of 2-[1-(aminomethyl)-3-ethylcyclohexyl]-1-ethoxypropan-2-ol (CID 113493350) is 2-[1-(aminomethyl)-3-ethylcyclohexyl]-1-ethoxypropan-2-ol.
What is the SMILES notation for 2-[1-(aminomethyl)-3-ethylcyclohexyl]-1-ethoxypropan-2-ol?
The canonical SMILES for 2-[1-(aminomethyl)-3-ethylcyclohexyl]-1-ethoxypropan-2-ol is CCOCC(C)(O)C1(CN)CCCC(CC)C1.
What is the InChIKey of 2-[1-(aminomethyl)-3-ethylcyclohexyl]-1-ethoxypropan-2-ol?
The InChIKey is COGKFFJLUDBYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-4-12-7-6-8-14(9-12,10-15)13(3,16)11-17-5-2/h12,16H,4-11,15H2,1-3H3.
What are the key properties of 2-[1-(aminomethyl)-3-ethylcyclohexyl]-1-ethoxypropan-2-ol?
2-[1-(aminomethyl)-3-ethylcyclohexyl]-1-ethoxypropan-2-ol has a molecular weight of 243.39 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)-3-ethylcyclohexyl]-1-ethoxypropan-2-ol is sourced from PubChem (CID 113493350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).