6-amino-1,5-diethylcyclohexa-2,4-dien-1-ol

C10H17NO — CID 69344032

IUPAC6-amino-1,5-diethylcyclohexa-2,4-dien-1-ol
SMILESCCC1=CC=CC(O)(CC)C1N
InChIInChI=1S/C10H17NO/c1-3-8-6-5-7-10(12,4-2)9(8)11/h5-7,9,12H,3-4,11H2,1-2H3
InChIKeyYVDMQSFDJSPEOF-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.36
Rot. Bonds2

About 6-amino-1,5-diethylcyclohexa-2,4-dien-1-ol

6-amino-1,5-diethylcyclohexa-2,4-dien-1-ol (PubChem CID 69344032) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 6-amino-1,5-diethylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name6-amino-1,5-diethylcyclohexa-2,4-dien-1-ol
PubChem CID69344032
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name6-amino-1,5-diethylcyclohexa-2,4-dien-1-ol
SMILESCCC1=CC=CC(O)(CC)C1N
InChIInChI=1S/C10H17NO/c1-3-8-6-5-7-10(12,4-2)9(8)11/h5-7,9,12H,3-4,11H2,1-2H3
InChIKeyYVDMQSFDJSPEOF-UHFFFAOYSA-N
XLogP1.36
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1,5-diethylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 6-amino-1,5-diethylcyclohexa-2,4-dien-1-ol (CID 69344032) is 6-amino-1,5-diethylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 6-amino-1,5-diethylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 6-amino-1,5-diethylcyclohexa-2,4-dien-1-ol is CCC1=CC=CC(O)(CC)C1N.
What is the InChIKey of 6-amino-1,5-diethylcyclohexa-2,4-dien-1-ol?
The InChIKey is YVDMQSFDJSPEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-8-6-5-7-10(12,4-2)9(8)11/h5-7,9,12H,3-4,11H2,1-2H3.
What are the key properties of 6-amino-1,5-diethylcyclohexa-2,4-dien-1-ol?
6-amino-1,5-diethylcyclohexa-2,4-dien-1-ol has a molecular weight of 167.25 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1,5-diethylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 69344032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).