2-ethenyl-N-(2-methoxyethyl)-N,1,4-trimethylcyclohexa-2,4-dien-1-amine

C14H23NO — CID 134188025

IUPAC2-ethenyl-N-(2-methoxyethyl)-N,1,4-trimethylcyclohexa-2,4-dien-1-amine
SMILESC=CC1=CC(C)=CCC1(C)N(C)CCOC
InChIInChI=1S/C14H23NO/c1-6-13-11-12(2)7-8-14(13,3)15(4)9-10-16-5/h6-7,11H,1,8-10H2,2-5H3
InChIKeyDGSHQUOCNOTKSM-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.79
Rot. Bonds5

About 2-ethenyl-N-(2-methoxyethyl)-N,1,4-trimethylcyclohexa-2,4-dien-1-amine

2-ethenyl-N-(2-methoxyethyl)-N,1,4-trimethylcyclohexa-2,4-dien-1-amine (PubChem CID 134188025) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-ethenyl-N-(2-methoxyethyl)-N,1,4-trimethylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name2-ethenyl-N-(2-methoxyethyl)-N,1,4-trimethylcyclohexa-2,4-dien-1-amine
PubChem CID134188025
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-ethenyl-N-(2-methoxyethyl)-N,1,4-trimethylcyclohexa-2,4-dien-1-amine
SMILESC=CC1=CC(C)=CCC1(C)N(C)CCOC
InChIInChI=1S/C14H23NO/c1-6-13-11-12(2)7-8-14(13,3)15(4)9-10-16-5/h6-7,11H,1,8-10H2,2-5H3
InChIKeyDGSHQUOCNOTKSM-UHFFFAOYSA-N
XLogP2.79
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-N-(2-methoxyethyl)-N,1,4-trimethylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 2-ethenyl-N-(2-methoxyethyl)-N,1,4-trimethylcyclohexa-2,4-dien-1-amine (CID 134188025) is 2-ethenyl-N-(2-methoxyethyl)-N,1,4-trimethylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 2-ethenyl-N-(2-methoxyethyl)-N,1,4-trimethylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 2-ethenyl-N-(2-methoxyethyl)-N,1,4-trimethylcyclohexa-2,4-dien-1-amine is C=CC1=CC(C)=CCC1(C)N(C)CCOC.
What is the InChIKey of 2-ethenyl-N-(2-methoxyethyl)-N,1,4-trimethylcyclohexa-2,4-dien-1-amine?
The InChIKey is DGSHQUOCNOTKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-6-13-11-12(2)7-8-14(13,3)15(4)9-10-16-5/h6-7,11H,1,8-10H2,2-5H3.
What are the key properties of 2-ethenyl-N-(2-methoxyethyl)-N,1,4-trimethylcyclohexa-2,4-dien-1-amine?
2-ethenyl-N-(2-methoxyethyl)-N,1,4-trimethylcyclohexa-2,4-dien-1-amine has a molecular weight of 221.34 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-N-(2-methoxyethyl)-N,1,4-trimethylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 134188025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).