5-methyl-4-[2-(methylamino)ethyl]cyclohexa-1,3-diene-1,2-diol

C10H17NO2 — CID 126729744

IUPAC5-methyl-4-[2-(methylamino)ethyl]cyclohexa-1,3-diene-1,2-diol
SMILESCNCCC1=CC(O)=C(O)CC1C
InChIInChI=1S/C10H17NO2/c1-7-5-9(12)10(13)6-8(7)3-4-11-2/h6-7,11-13H,3-5H2,1-2H3
InChIKeyLQEYEEOVRRZEDQ-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.89
Rot. Bonds3

About 5-methyl-4-[2-(methylamino)ethyl]cyclohexa-1,3-diene-1,2-diol

5-methyl-4-[2-(methylamino)ethyl]cyclohexa-1,3-diene-1,2-diol (PubChem CID 126729744) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 5-methyl-4-[2-(methylamino)ethyl]cyclohexa-1,3-diene-1,2-diol.

Molecular Properties

Compound Name5-methyl-4-[2-(methylamino)ethyl]cyclohexa-1,3-diene-1,2-diol
PubChem CID126729744
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name5-methyl-4-[2-(methylamino)ethyl]cyclohexa-1,3-diene-1,2-diol
SMILESCNCCC1=CC(O)=C(O)CC1C
InChIInChI=1S/C10H17NO2/c1-7-5-9(12)10(13)6-8(7)3-4-11-2/h6-7,11-13H,3-5H2,1-2H3
InChIKeyLQEYEEOVRRZEDQ-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[2-(methylamino)ethyl]cyclohexa-1,3-diene-1,2-diol?
The IUPAC name of 5-methyl-4-[2-(methylamino)ethyl]cyclohexa-1,3-diene-1,2-diol (CID 126729744) is 5-methyl-4-[2-(methylamino)ethyl]cyclohexa-1,3-diene-1,2-diol.
What is the SMILES notation for 5-methyl-4-[2-(methylamino)ethyl]cyclohexa-1,3-diene-1,2-diol?
The canonical SMILES for 5-methyl-4-[2-(methylamino)ethyl]cyclohexa-1,3-diene-1,2-diol is CNCCC1=CC(O)=C(O)CC1C.
What is the InChIKey of 5-methyl-4-[2-(methylamino)ethyl]cyclohexa-1,3-diene-1,2-diol?
The InChIKey is LQEYEEOVRRZEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-7-5-9(12)10(13)6-8(7)3-4-11-2/h6-7,11-13H,3-5H2,1-2H3.
What are the key properties of 5-methyl-4-[2-(methylamino)ethyl]cyclohexa-1,3-diene-1,2-diol?
5-methyl-4-[2-(methylamino)ethyl]cyclohexa-1,3-diene-1,2-diol has a molecular weight of 183.25 g/mol, XLogP of 1.89, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[2-(methylamino)ethyl]cyclohexa-1,3-diene-1,2-diol is sourced from PubChem (CID 126729744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).