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

C11H19NO — CID 142862938

IUPAC6-(diethylamino)-3-methylcyclohexa-1,3-dien-1-ol
SMILESCCN(CC)C1CC=C(C)C=C1O
InChIInChI=1S/C11H19NO/c1-4-12(5-2)10-7-6-9(3)8-11(10)13/h6,8,10,13H,4-5,7H2,1-3H3
InChIKeyQHWNWNRWPAZNQU-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.49
Rot. Bonds3

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

6-(diethylamino)-3-methylcyclohexa-1,3-dien-1-ol (PubChem CID 142862938) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 6-(diethylamino)-3-methylcyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name6-(diethylamino)-3-methylcyclohexa-1,3-dien-1-ol
PubChem CID142862938
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name6-(diethylamino)-3-methylcyclohexa-1,3-dien-1-ol
SMILESCCN(CC)C1CC=C(C)C=C1O
InChIInChI=1S/C11H19NO/c1-4-12(5-2)10-7-6-9(3)8-11(10)13/h6,8,10,13H,4-5,7H2,1-3H3
InChIKeyQHWNWNRWPAZNQU-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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Related Compounds

2-(Dimethylamino)-1-(2,6-dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)-2-methylpropan-1-ol;ZINC
CID 20672921
6-(Dimethylamino)-6-methylcyclohexa-1,3-dien-1-ol
CID 69935690
3-(Diethylamino)-6-methylcyclohexa-1,5-dien-1-ol
CID 89265185
(4E)-4-methyl-6-[[methyl(propyl)amino]methyl]hepta-1,4,6-trien-2-ol
CID 89659199
6-(Dimethylamino)-3-methylidenecyclohexen-1-ol
CID 142933048
2-[(Dimethylamino)methyl]cyclohexa-1,3-dien-1-ol
CID 145025621
1,2-diethyl-2H-pyridin-3-ol;hydrochloride
CID 160789381
6-[Cyclopropyl(methyl)amino]-3-methylcyclohexa-1,3-dien-1-ol
CID 163892760
(3R)-3-[(3E,6Z,9E)-3-methyl-2-methylidene-1-azacycloundeca-3,6,9-trien-1-yl]pent-1-en-2-ol
CID 174150594
2-ethyl-1,4-dimethyl-2H-pyridin-3-ol
CID 175267353
2-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-4-ol
CID 176920906
2-(Dimethylamino)-1-(2,6-dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)-2-methylpropan-1-ol
CID 20672922

Frequently Asked Questions

What is the IUPAC name of 6-(diethylamino)-3-methylcyclohexa-1,3-dien-1-ol?
The IUPAC name of 6-(diethylamino)-3-methylcyclohexa-1,3-dien-1-ol (CID 142862938) is 6-(diethylamino)-3-methylcyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 6-(diethylamino)-3-methylcyclohexa-1,3-dien-1-ol?
The canonical SMILES for 6-(diethylamino)-3-methylcyclohexa-1,3-dien-1-ol is CCN(CC)C1CC=C(C)C=C1O.
What is the InChIKey of 6-(diethylamino)-3-methylcyclohexa-1,3-dien-1-ol?
The InChIKey is QHWNWNRWPAZNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-4-12(5-2)10-7-6-9(3)8-11(10)13/h6,8,10,13H,4-5,7H2,1-3H3.
What are the key properties of 6-(diethylamino)-3-methylcyclohexa-1,3-dien-1-ol?
6-(diethylamino)-3-methylcyclohexa-1,3-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 6-(diethylamino)-3-methylcyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 142862938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).