1-(diethylamino)cyclohexa-2,4-dien-1-ol

C10H17NO — CID 151374708

IUPAC1-(diethylamino)cyclohexa-2,4-dien-1-ol
SMILESCCN(CC)C1(O)C=CC=CC1
InChIInChI=1S/C10H17NO/c1-3-11(4-2)10(12)8-6-5-7-9-10/h5-8,12H,3-4,9H2,1-2H3
InChIKeyNWGFQENHGZCCNH-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.53
Rot. Bonds3

About 1-(diethylamino)cyclohexa-2,4-dien-1-ol

1-(diethylamino)cyclohexa-2,4-dien-1-ol (PubChem CID 151374708) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-(diethylamino)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name1-(diethylamino)cyclohexa-2,4-dien-1-ol
PubChem CID151374708
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-(diethylamino)cyclohexa-2,4-dien-1-ol
SMILESCCN(CC)C1(O)C=CC=CC1
InChIInChI=1S/C10H17NO/c1-3-11(4-2)10(12)8-6-5-7-9-10/h5-8,12H,3-4,9H2,1-2H3
InChIKeyNWGFQENHGZCCNH-UHFFFAOYSA-N
XLogP1.53
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(1-Hydroxy-2,4-dimethyl-6-methylidenecyclohexa-2,4-dien-1-yl)-methylamino]-2,4-dimethyl-6-methylidenecyclohexa-2,4-dien-1-ol
CID 68974901
N-1-hydroxyphenylazetidine
CID 129670200
1-(Dimethylamino)cyclohexa-3,5-diene-1,3-diol
CID 22357098
[4-(Diethylamino)cyclohexa-1,5-dien-1-yl]methanol
CID 68213053
4-[Bis(prop-2-enyl)amino]cyclohexa-1,5-diene-1,4-diol
CID 69194228
4-(Diethylamino)cyclohexa-1,5-diene-1,4-diol
CID 70194136
3-(Diethylamino)-6-methylcyclohexa-1,5-dien-1-ol
CID 89265185
(3Z,5Z)-2-[di(propan-2-yl)amino]octa-3,5,7-trien-4-ol
CID 138655280
4-(Dimethylamino)cyclohexa-1,5-dien-1-ol
CID 141786672
3-(Diethylamino)cyclohexa-1,5-dien-1-ol;ethane
CID 144010345
1-(Butylamino)cyclohexa-2,4-dien-1-ol
CID 151053684
1-(Dimethylamino)cyclohexa-2,4-dien-1-ol
CID 153728586

Frequently Asked Questions

What is the IUPAC name of 1-(diethylamino)cyclohexa-2,4-dien-1-ol?
The IUPAC name of 1-(diethylamino)cyclohexa-2,4-dien-1-ol (CID 151374708) is 1-(diethylamino)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 1-(diethylamino)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 1-(diethylamino)cyclohexa-2,4-dien-1-ol is CCN(CC)C1(O)C=CC=CC1.
What is the InChIKey of 1-(diethylamino)cyclohexa-2,4-dien-1-ol?
The InChIKey is NWGFQENHGZCCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-11(4-2)10(12)8-6-5-7-9-10/h5-8,12H,3-4,9H2,1-2H3.
What are the key properties of 1-(diethylamino)cyclohexa-2,4-dien-1-ol?
1-(diethylamino)cyclohexa-2,4-dien-1-ol has a molecular weight of 167.25 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 151374708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).