6-(diethylaminomethyl)-3,6-dimethylcyclohexa-2,4-dien-1-ol

C13H23NO — CID 70397430

IUPAC6-(diethylaminomethyl)-3,6-dimethylcyclohexa-2,4-dien-1-ol
SMILESCCN(CC)CC1(C)C=CC(C)=CC1O
InChIInChI=1S/C13H23NO/c1-5-14(6-2)10-13(4)8-7-11(3)9-12(13)15/h7-9,12,15H,5-6,10H2,1-4H3
InChIKeyVJTSLCVDTMYLFB-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.21
Rot. Bonds4

About 6-(diethylaminomethyl)-3,6-dimethylcyclohexa-2,4-dien-1-ol

6-(diethylaminomethyl)-3,6-dimethylcyclohexa-2,4-dien-1-ol (PubChem CID 70397430) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 6-(diethylaminomethyl)-3,6-dimethylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name6-(diethylaminomethyl)-3,6-dimethylcyclohexa-2,4-dien-1-ol
PubChem CID70397430
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name6-(diethylaminomethyl)-3,6-dimethylcyclohexa-2,4-dien-1-ol
SMILESCCN(CC)CC1(C)C=CC(C)=CC1O
InChIInChI=1S/C13H23NO/c1-5-14(6-2)10-13(4)8-7-11(3)9-12(13)15/h7-9,12,15H,5-6,10H2,1-4H3
InChIKeyVJTSLCVDTMYLFB-UHFFFAOYSA-N
XLogP2.21
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(diethylaminomethyl)-3,6-dimethylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 6-(diethylaminomethyl)-3,6-dimethylcyclohexa-2,4-dien-1-ol (CID 70397430) is 6-(diethylaminomethyl)-3,6-dimethylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 6-(diethylaminomethyl)-3,6-dimethylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 6-(diethylaminomethyl)-3,6-dimethylcyclohexa-2,4-dien-1-ol is CCN(CC)CC1(C)C=CC(C)=CC1O.
What is the InChIKey of 6-(diethylaminomethyl)-3,6-dimethylcyclohexa-2,4-dien-1-ol?
The InChIKey is VJTSLCVDTMYLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-5-14(6-2)10-13(4)8-7-11(3)9-12(13)15/h7-9,12,15H,5-6,10H2,1-4H3.
What are the key properties of 6-(diethylaminomethyl)-3,6-dimethylcyclohexa-2,4-dien-1-ol?
6-(diethylaminomethyl)-3,6-dimethylcyclohexa-2,4-dien-1-ol has a molecular weight of 209.33 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylaminomethyl)-3,6-dimethylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 70397430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).