2,6-bis(diethylaminomethyl)-4,6-dimethylcyclohexa-1,3-dien-1-ol

C18H34N2O — CID 139660786

IUPAC2,6-bis(diethylaminomethyl)-4,6-dimethylcyclohexa-1,3-dien-1-ol
SMILESCCN(CC)CC1=C(O)C(C)(CN(CC)CC)CC(C)=C1
InChIInChI=1S/C18H34N2O/c1-7-19(8-2)13-16-11-15(5)12-18(6,17(16)21)14-20(9-3)10-4/h11,21H,7-10,12-14H2,1-6H3
InChIKeyCRHQGKHKYPRSJB-UHFFFAOYSA-N
MW294.48 g/mol
LogP3.84
Rot. Bonds8

About 2,6-bis(diethylaminomethyl)-4,6-dimethylcyclohexa-1,3-dien-1-ol

2,6-bis(diethylaminomethyl)-4,6-dimethylcyclohexa-1,3-dien-1-ol (PubChem CID 139660786) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is 2,6-bis(diethylaminomethyl)-4,6-dimethylcyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name2,6-bis(diethylaminomethyl)-4,6-dimethylcyclohexa-1,3-dien-1-ol
PubChem CID139660786
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name2,6-bis(diethylaminomethyl)-4,6-dimethylcyclohexa-1,3-dien-1-ol
SMILESCCN(CC)CC1=C(O)C(C)(CN(CC)CC)CC(C)=C1
InChIInChI=1S/C18H34N2O/c1-7-19(8-2)13-16-11-15(5)12-18(6,17(16)21)14-20(9-3)10-4/h11,21H,7-10,12-14H2,1-6H3
InChIKeyCRHQGKHKYPRSJB-UHFFFAOYSA-N
XLogP3.84
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(diethylaminomethyl)-4,6-dimethylcyclohexa-1,3-dien-1-ol?
The IUPAC name of 2,6-bis(diethylaminomethyl)-4,6-dimethylcyclohexa-1,3-dien-1-ol (CID 139660786) is 2,6-bis(diethylaminomethyl)-4,6-dimethylcyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 2,6-bis(diethylaminomethyl)-4,6-dimethylcyclohexa-1,3-dien-1-ol?
The canonical SMILES for 2,6-bis(diethylaminomethyl)-4,6-dimethylcyclohexa-1,3-dien-1-ol is CCN(CC)CC1=C(O)C(C)(CN(CC)CC)CC(C)=C1.
What is the InChIKey of 2,6-bis(diethylaminomethyl)-4,6-dimethylcyclohexa-1,3-dien-1-ol?
The InChIKey is CRHQGKHKYPRSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-7-19(8-2)13-16-11-15(5)12-18(6,17(16)21)14-20(9-3)10-4/h11,21H,7-10,12-14H2,1-6H3.
What are the key properties of 2,6-bis(diethylaminomethyl)-4,6-dimethylcyclohexa-1,3-dien-1-ol?
2,6-bis(diethylaminomethyl)-4,6-dimethylcyclohexa-1,3-dien-1-ol has a molecular weight of 294.48 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(diethylaminomethyl)-4,6-dimethylcyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 139660786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).