3-[(1R)-1-hydroxy-2-(methylamino)ethyl]-6-methylcyclohexa-1,3-dien-1-ol

C10H17NO2 — CID 163748243

IUPAC3-[(1R)-1-hydroxy-2-(methylamino)ethyl]-6-methylcyclohexa-1,3-dien-1-ol
SMILESCNC[C@H](O)C1=CCC(C)C(O)=C1
InChIInChI=1S/C10H17NO2/c1-7-3-4-8(5-9(7)12)10(13)6-11-2/h4-5,7,10-13H,3,6H2,1-2H3/t7?,10-/m0/s1
InChIKeyLNSUTPLNONGTDP-MHPPCMCBSA-N
MW183.25 g/mol
LogP0.97
Rot. Bonds3

About 3-[(1R)-1-hydroxy-2-(methylamino)ethyl]-6-methylcyclohexa-1,3-dien-1-ol

3-[(1R)-1-hydroxy-2-(methylamino)ethyl]-6-methylcyclohexa-1,3-dien-1-ol (PubChem CID 163748243) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 3-[(1R)-1-hydroxy-2-(methylamino)ethyl]-6-methylcyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name3-[(1R)-1-hydroxy-2-(methylamino)ethyl]-6-methylcyclohexa-1,3-dien-1-ol
PubChem CID163748243
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name3-[(1R)-1-hydroxy-2-(methylamino)ethyl]-6-methylcyclohexa-1,3-dien-1-ol
SMILESCNC[C@H](O)C1=CCC(C)C(O)=C1
InChIInChI=1S/C10H17NO2/c1-7-3-4-8(5-9(7)12)10(13)6-11-2/h4-5,7,10-13H,3,6H2,1-2H3/t7?,10-/m0/s1
InChIKeyLNSUTPLNONGTDP-MHPPCMCBSA-N
XLogP0.97
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 ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 70525083
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Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-hydroxy-2-(methylamino)ethyl]-6-methylcyclohexa-1,3-dien-1-ol?
The IUPAC name of 3-[(1R)-1-hydroxy-2-(methylamino)ethyl]-6-methylcyclohexa-1,3-dien-1-ol (CID 163748243) is 3-[(1R)-1-hydroxy-2-(methylamino)ethyl]-6-methylcyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 3-[(1R)-1-hydroxy-2-(methylamino)ethyl]-6-methylcyclohexa-1,3-dien-1-ol?
The canonical SMILES for 3-[(1R)-1-hydroxy-2-(methylamino)ethyl]-6-methylcyclohexa-1,3-dien-1-ol is CNC[C@H](O)C1=CCC(C)C(O)=C1.
What is the InChIKey of 3-[(1R)-1-hydroxy-2-(methylamino)ethyl]-6-methylcyclohexa-1,3-dien-1-ol?
The InChIKey is LNSUTPLNONGTDP-MHPPCMCBSA-N. The full InChI is InChI=1S/C10H17NO2/c1-7-3-4-8(5-9(7)12)10(13)6-11-2/h4-5,7,10-13H,3,6H2,1-2H3/t7?,10-/m0/s1.
What are the key properties of 3-[(1R)-1-hydroxy-2-(methylamino)ethyl]-6-methylcyclohexa-1,3-dien-1-ol?
3-[(1R)-1-hydroxy-2-(methylamino)ethyl]-6-methylcyclohexa-1,3-dien-1-ol has a molecular weight of 183.25 g/mol, XLogP of 0.97, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-hydroxy-2-(methylamino)ethyl]-6-methylcyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 163748243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).