3-(diethylamino)-6-methylcyclohexa-1,5-dien-1-ol

C11H19NO — CID 89265185

IUPAC3-(diethylamino)-6-methylcyclohexa-1,5-dien-1-ol
SMILESCCN(CC)C1C=C(O)C(C)=CC1
InChIInChI=1S/C11H19NO/c1-4-12(5-2)10-7-6-9(3)11(13)8-10/h6,8,10,13H,4-5,7H2,1-3H3
InChIKeyAMMOUBDJVBKUSD-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.49
Rot. Bonds3

About 3-(diethylamino)-6-methylcyclohexa-1,5-dien-1-ol

3-(diethylamino)-6-methylcyclohexa-1,5-dien-1-ol (PubChem CID 89265185) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 3-(diethylamino)-6-methylcyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name3-(diethylamino)-6-methylcyclohexa-1,5-dien-1-ol
PubChem CID89265185
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name3-(diethylamino)-6-methylcyclohexa-1,5-dien-1-ol
SMILESCCN(CC)C1C=C(O)C(C)=CC1
InChIInChI=1S/C11H19NO/c1-4-12(5-2)10-7-6-9(3)11(13)8-10/h6,8,10,13H,4-5,7H2,1-3H3
InChIKeyAMMOUBDJVBKUSD-UHFFFAOYSA-N
XLogP2.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-6-methylcyclohexa-1,5-dien-1-ol?
The IUPAC name of 3-(diethylamino)-6-methylcyclohexa-1,5-dien-1-ol (CID 89265185) is 3-(diethylamino)-6-methylcyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 3-(diethylamino)-6-methylcyclohexa-1,5-dien-1-ol?
The canonical SMILES for 3-(diethylamino)-6-methylcyclohexa-1,5-dien-1-ol is CCN(CC)C1C=C(O)C(C)=CC1.
What is the InChIKey of 3-(diethylamino)-6-methylcyclohexa-1,5-dien-1-ol?
The InChIKey is AMMOUBDJVBKUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-4-12(5-2)10-7-6-9(3)11(13)8-10/h6,8,10,13H,4-5,7H2,1-3H3.
What are the key properties of 3-(diethylamino)-6-methylcyclohexa-1,5-dien-1-ol?
3-(diethylamino)-6-methylcyclohexa-1,5-dien-1-ol has a molecular weight of 181.28 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-6-methylcyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 89265185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).