6-amino-6-(diethylaminomethyl)cyclohexa-2,4-dien-1-ol

C11H20N2O — CID 69162958

IUPAC6-amino-6-(diethylaminomethyl)cyclohexa-2,4-dien-1-ol
SMILESCCN(CC)CC1(N)C=CC=CC1O
InChIInChI=1S/C11H20N2O/c1-3-13(4-2)9-11(12)8-6-5-7-10(11)14/h5-8,10,14H,3-4,9,12H2,1-2H3
InChIKeyCVDMGBGQRKEERZ-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.51
Rot. Bonds4

About 6-amino-6-(diethylaminomethyl)cyclohexa-2,4-dien-1-ol

6-amino-6-(diethylaminomethyl)cyclohexa-2,4-dien-1-ol (PubChem CID 69162958) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 6-amino-6-(diethylaminomethyl)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name6-amino-6-(diethylaminomethyl)cyclohexa-2,4-dien-1-ol
PubChem CID69162958
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name6-amino-6-(diethylaminomethyl)cyclohexa-2,4-dien-1-ol
SMILESCCN(CC)CC1(N)C=CC=CC1O
InChIInChI=1S/C11H20N2O/c1-3-13(4-2)9-11(12)8-6-5-7-10(11)14/h5-8,10,14H,3-4,9,12H2,1-2H3
InChIKeyCVDMGBGQRKEERZ-UHFFFAOYSA-N
XLogP0.51
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-amino-6-(diethylaminomethyl)cyclohexa-2,4-dien-1-ol?
The IUPAC name of 6-amino-6-(diethylaminomethyl)cyclohexa-2,4-dien-1-ol (CID 69162958) is 6-amino-6-(diethylaminomethyl)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 6-amino-6-(diethylaminomethyl)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 6-amino-6-(diethylaminomethyl)cyclohexa-2,4-dien-1-ol is CCN(CC)CC1(N)C=CC=CC1O.
What is the InChIKey of 6-amino-6-(diethylaminomethyl)cyclohexa-2,4-dien-1-ol?
The InChIKey is CVDMGBGQRKEERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-3-13(4-2)9-11(12)8-6-5-7-10(11)14/h5-8,10,14H,3-4,9,12H2,1-2H3.
What are the key properties of 6-amino-6-(diethylaminomethyl)cyclohexa-2,4-dien-1-ol?
6-amino-6-(diethylaminomethyl)cyclohexa-2,4-dien-1-ol has a molecular weight of 196.29 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-6-(diethylaminomethyl)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 69162958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).