5-(diethylamino)-5-(dimethylamino)cyclohexa-1,3-dien-1-ol

C12H22N2O — CID 67857035

IUPAC5-(diethylamino)-5-(dimethylamino)cyclohexa-1,3-dien-1-ol
SMILESCCN(CC)C1(N(C)C)C=CC=C(O)C1
InChIInChI=1S/C12H22N2O/c1-5-14(6-2)12(13(3)4)9-7-8-11(15)10-12/h7-9,15H,5-6,10H2,1-4H3
InChIKeyZQHPVQXTTZXRRL-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.99
Rot. Bonds4

About 5-(diethylamino)-5-(dimethylamino)cyclohexa-1,3-dien-1-ol

5-(diethylamino)-5-(dimethylamino)cyclohexa-1,3-dien-1-ol (PubChem CID 67857035) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 5-(diethylamino)-5-(dimethylamino)cyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name5-(diethylamino)-5-(dimethylamino)cyclohexa-1,3-dien-1-ol
PubChem CID67857035
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name5-(diethylamino)-5-(dimethylamino)cyclohexa-1,3-dien-1-ol
SMILESCCN(CC)C1(N(C)C)C=CC=C(O)C1
InChIInChI=1S/C12H22N2O/c1-5-14(6-2)12(13(3)4)9-7-8-11(15)10-12/h7-9,15H,5-6,10H2,1-4H3
InChIKeyZQHPVQXTTZXRRL-UHFFFAOYSA-N
XLogP1.99
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)-5-(dimethylamino)cyclohexa-1,3-dien-1-ol?
The IUPAC name of 5-(diethylamino)-5-(dimethylamino)cyclohexa-1,3-dien-1-ol (CID 67857035) is 5-(diethylamino)-5-(dimethylamino)cyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 5-(diethylamino)-5-(dimethylamino)cyclohexa-1,3-dien-1-ol?
The canonical SMILES for 5-(diethylamino)-5-(dimethylamino)cyclohexa-1,3-dien-1-ol is CCN(CC)C1(N(C)C)C=CC=C(O)C1.
What is the InChIKey of 5-(diethylamino)-5-(dimethylamino)cyclohexa-1,3-dien-1-ol?
The InChIKey is ZQHPVQXTTZXRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-5-14(6-2)12(13(3)4)9-7-8-11(15)10-12/h7-9,15H,5-6,10H2,1-4H3.
What are the key properties of 5-(diethylamino)-5-(dimethylamino)cyclohexa-1,3-dien-1-ol?
5-(diethylamino)-5-(dimethylamino)cyclohexa-1,3-dien-1-ol has a molecular weight of 210.32 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-5-(dimethylamino)cyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 67857035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).