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

C12H21NO — CID 174906644

IUPAC6-(diethylaminomethyl)-6-methylcyclohexa-1,3-dien-1-ol
SMILESCCN(CC)CC1(C)CC=CC=C1O
InChIInChI=1S/C12H21NO/c1-4-13(5-2)10-12(3)9-7-6-8-11(12)14/h6-8,14H,4-5,9-10H2,1-3H3
InChIKeyJXIGSVGJRSJPSE-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.74
Rot. Bonds4

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

6-(diethylaminomethyl)-6-methylcyclohexa-1,3-dien-1-ol (PubChem CID 174906644) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 6-(diethylaminomethyl)-6-methylcyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name6-(diethylaminomethyl)-6-methylcyclohexa-1,3-dien-1-ol
PubChem CID174906644
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name6-(diethylaminomethyl)-6-methylcyclohexa-1,3-dien-1-ol
SMILESCCN(CC)CC1(C)CC=CC=C1O
InChIInChI=1S/C12H21NO/c1-4-13(5-2)10-12(3)9-7-6-8-11(12)14/h6-8,14H,4-5,9-10H2,1-3H3
InChIKeyJXIGSVGJRSJPSE-UHFFFAOYSA-N
XLogP2.74
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(diethylaminomethyl)-6-methylcyclohexa-1,3-dien-1-ol?
The IUPAC name of 6-(diethylaminomethyl)-6-methylcyclohexa-1,3-dien-1-ol (CID 174906644) is 6-(diethylaminomethyl)-6-methylcyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 6-(diethylaminomethyl)-6-methylcyclohexa-1,3-dien-1-ol?
The canonical SMILES for 6-(diethylaminomethyl)-6-methylcyclohexa-1,3-dien-1-ol is CCN(CC)CC1(C)CC=CC=C1O.
What is the InChIKey of 6-(diethylaminomethyl)-6-methylcyclohexa-1,3-dien-1-ol?
The InChIKey is JXIGSVGJRSJPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-4-13(5-2)10-12(3)9-7-6-8-11(12)14/h6-8,14H,4-5,9-10H2,1-3H3.
What are the key properties of 6-(diethylaminomethyl)-6-methylcyclohexa-1,3-dien-1-ol?
6-(diethylaminomethyl)-6-methylcyclohexa-1,3-dien-1-ol has a molecular weight of 195.31 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylaminomethyl)-6-methylcyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 174906644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).