1-[1-(ethylamino)ethyl]cyclohexa-3,5-diene-1,2-diol

C10H17NO2 — CID 67420179

IUPAC1-[1-(ethylamino)ethyl]cyclohexa-3,5-diene-1,2-diol
SMILESCCNC(C)C1(O)C=CC=CC1O
InChIInChI=1S/C10H17NO2/c1-3-11-8(2)10(13)7-5-4-6-9(10)12/h4-9,11-13H,3H2,1-2H3
InChIKeyQPXLHWVBJIZKPX-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.20
Rot. Bonds3

About 1-[1-(ethylamino)ethyl]cyclohexa-3,5-diene-1,2-diol

1-[1-(ethylamino)ethyl]cyclohexa-3,5-diene-1,2-diol (PubChem CID 67420179) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-[1-(ethylamino)ethyl]cyclohexa-3,5-diene-1,2-diol.

Molecular Properties

Compound Name1-[1-(ethylamino)ethyl]cyclohexa-3,5-diene-1,2-diol
PubChem CID67420179
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1-[1-(ethylamino)ethyl]cyclohexa-3,5-diene-1,2-diol
SMILESCCNC(C)C1(O)C=CC=CC1O
InChIInChI=1S/C10H17NO2/c1-3-11-8(2)10(13)7-5-4-6-9(10)12/h4-9,11-13H,3H2,1-2H3
InChIKeyQPXLHWVBJIZKPX-UHFFFAOYSA-N
XLogP0.20
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(ethylamino)ethyl]cyclohexa-3,5-diene-1,2-diol?
The IUPAC name of 1-[1-(ethylamino)ethyl]cyclohexa-3,5-diene-1,2-diol (CID 67420179) is 1-[1-(ethylamino)ethyl]cyclohexa-3,5-diene-1,2-diol.
What is the SMILES notation for 1-[1-(ethylamino)ethyl]cyclohexa-3,5-diene-1,2-diol?
The canonical SMILES for 1-[1-(ethylamino)ethyl]cyclohexa-3,5-diene-1,2-diol is CCNC(C)C1(O)C=CC=CC1O.
What is the InChIKey of 1-[1-(ethylamino)ethyl]cyclohexa-3,5-diene-1,2-diol?
The InChIKey is QPXLHWVBJIZKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-3-11-8(2)10(13)7-5-4-6-9(10)12/h4-9,11-13H,3H2,1-2H3.
What are the key properties of 1-[1-(ethylamino)ethyl]cyclohexa-3,5-diene-1,2-diol?
1-[1-(ethylamino)ethyl]cyclohexa-3,5-diene-1,2-diol has a molecular weight of 183.25 g/mol, XLogP of 0.20, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(ethylamino)ethyl]cyclohexa-3,5-diene-1,2-diol is sourced from PubChem (CID 67420179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).