4-[2-(diethylamino)ethoxy]-N-methylcyclohexa-1,5-dien-1-amine

C13H24N2O — CID 143098757

IUPAC4-[2-(diethylamino)ethoxy]-N-methylcyclohexa-1,5-dien-1-amine
SMILESCCN(CC)CCOC1C=CC(NC)=CC1
InChIInChI=1S/C13H24N2O/c1-4-15(5-2)10-11-16-13-8-6-12(14-3)7-9-13/h6-8,13-14H,4-5,9-11H2,1-3H3
InChIKeyPZSAMFHKJJVWGR-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.78
Rot. Bonds7

About 4-[2-(diethylamino)ethoxy]-N-methylcyclohexa-1,5-dien-1-amine

4-[2-(diethylamino)ethoxy]-N-methylcyclohexa-1,5-dien-1-amine (PubChem CID 143098757) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 4-[2-(diethylamino)ethoxy]-N-methylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name4-[2-(diethylamino)ethoxy]-N-methylcyclohexa-1,5-dien-1-amine
PubChem CID143098757
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name4-[2-(diethylamino)ethoxy]-N-methylcyclohexa-1,5-dien-1-amine
SMILESCCN(CC)CCOC1C=CC(NC)=CC1
InChIInChI=1S/C13H24N2O/c1-4-15(5-2)10-11-16-13-8-6-12(14-3)7-9-13/h6-8,13-14H,4-5,9-11H2,1-3H3
InChIKeyPZSAMFHKJJVWGR-UHFFFAOYSA-N
XLogP1.78
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(diethylamino)ethoxy]-N-methylcyclohexa-1,5-dien-1-amine?
The IUPAC name of 4-[2-(diethylamino)ethoxy]-N-methylcyclohexa-1,5-dien-1-amine (CID 143098757) is 4-[2-(diethylamino)ethoxy]-N-methylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 4-[2-(diethylamino)ethoxy]-N-methylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for 4-[2-(diethylamino)ethoxy]-N-methylcyclohexa-1,5-dien-1-amine is CCN(CC)CCOC1C=CC(NC)=CC1.
What is the InChIKey of 4-[2-(diethylamino)ethoxy]-N-methylcyclohexa-1,5-dien-1-amine?
The InChIKey is PZSAMFHKJJVWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-4-15(5-2)10-11-16-13-8-6-12(14-3)7-9-13/h6-8,13-14H,4-5,9-11H2,1-3H3.
What are the key properties of 4-[2-(diethylamino)ethoxy]-N-methylcyclohexa-1,5-dien-1-amine?
4-[2-(diethylamino)ethoxy]-N-methylcyclohexa-1,5-dien-1-amine has a molecular weight of 224.35 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(diethylamino)ethoxy]-N-methylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 143098757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).