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

C10H17NO2 — CID 67420181

IUPAC1-[2-(ethylamino)ethyl]cyclohexa-3,5-diene-1,2-diol
SMILESCCNCCC1(O)C=CC=CC1O
InChIInChI=1S/C10H17NO2/c1-2-11-8-7-10(13)6-4-3-5-9(10)12/h3-6,9,11-13H,2,7-8H2,1H3
InChIKeyAHTJDWBIHOEEMK-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.20
Rot. Bonds4

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

1-[2-(ethylamino)ethyl]cyclohexa-3,5-diene-1,2-diol (PubChem CID 67420181) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-[2-(ethylamino)ethyl]cyclohexa-3,5-diene-1,2-diol.

Molecular Properties

Compound Name1-[2-(ethylamino)ethyl]cyclohexa-3,5-diene-1,2-diol
PubChem CID67420181
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1-[2-(ethylamino)ethyl]cyclohexa-3,5-diene-1,2-diol
SMILESCCNCCC1(O)C=CC=CC1O
InChIInChI=1S/C10H17NO2/c1-2-11-8-7-10(13)6-4-3-5-9(10)12/h3-6,9,11-13H,2,7-8H2,1H3
InChIKeyAHTJDWBIHOEEMK-UHFFFAOYSA-N
XLogP0.20
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(4S,4aR,5E,7aR)-5-[(E)-but-2-enylidene]-2,3,4,7a-tetrahydro-1H-cyclopenta[b]pyridine-4,4a-diol
CID 163187875
1-[1-(Ethylamino)ethyl]cyclohexa-3,5-diene-1,2-diol
CID 67420179
1-(1-Hydroxyethyl)-6-(methylamino)cyclohexa-2,4-dien-1-ol
CID 69744657
4-[1-Hydroxy-2-(propan-2-ylamino)ethyl]cyclohexa-2,6-diene-1,2-diol
CID 71066860
1-Cyclohexa-1,5-dien-1-yl-3-(methylamino)propan-1-ol
CID 89296934
ethane;4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-3-methoxypiperidin-4-ol
CID 141861804
4-[(2E,4Z)-hexa-2,4-dien-3-yl]piperidin-4-ol;methanol
CID 142135233
(E)-2,3-bis(ethenyl)-5-ethyl-7-(methylamino)hept-2-ene-1,5-diol
CID 142283533
ethane;4-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-methoxypiperidin-3-ol
CID 143402022
ethane;4-ethoxy-4-[(2E,4Z)-hexa-2,4-dien-2-yl]piperidin-3-ol
CID 143402026
ethanol;(Z,3S,4E)-1-(ethylamino)-4-propylideneoct-5-en-3-ol
CID 143615644
1-[(1R)-1-hydroxyethyl]-6-(methylamino)cyclohexa-2,4-dien-1-ol
CID 153700942

Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylamino)ethyl]cyclohexa-3,5-diene-1,2-diol?
The IUPAC name of 1-[2-(ethylamino)ethyl]cyclohexa-3,5-diene-1,2-diol (CID 67420181) is 1-[2-(ethylamino)ethyl]cyclohexa-3,5-diene-1,2-diol.
What is the SMILES notation for 1-[2-(ethylamino)ethyl]cyclohexa-3,5-diene-1,2-diol?
The canonical SMILES for 1-[2-(ethylamino)ethyl]cyclohexa-3,5-diene-1,2-diol is CCNCCC1(O)C=CC=CC1O.
What is the InChIKey of 1-[2-(ethylamino)ethyl]cyclohexa-3,5-diene-1,2-diol?
The InChIKey is AHTJDWBIHOEEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-2-11-8-7-10(13)6-4-3-5-9(10)12/h3-6,9,11-13H,2,7-8H2,1H3.
What are the key properties of 1-[2-(ethylamino)ethyl]cyclohexa-3,5-diene-1,2-diol?
1-[2-(ethylamino)ethyl]cyclohexa-3,5-diene-1,2-diol has a molecular weight of 183.25 g/mol, XLogP of 0.20, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylamino)ethyl]cyclohexa-3,5-diene-1,2-diol is sourced from PubChem (CID 67420181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).