1-[3-(methoxymethyl)-1-methylcyclohepta-2,4-dien-1-yl]-N,N-dimethylmethanamine

C13H23NO — CID 129060023

IUPAC1-[3-(methoxymethyl)-1-methylcyclohepta-2,4-dien-1-yl]-N,N-dimethylmethanamine
SMILESCOCC1=CC(C)(CN(C)C)CCC=C1
InChIInChI=1S/C13H23NO/c1-13(11-14(2)3)8-6-5-7-12(9-13)10-15-4/h5,7,9H,6,8,10-11H2,1-4H3
InChIKeySERSUCMQTIRABG-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.48
Rot. Bonds4

About 1-[3-(methoxymethyl)-1-methylcyclohepta-2,4-dien-1-yl]-N,N-dimethylmethanamine

1-[3-(methoxymethyl)-1-methylcyclohepta-2,4-dien-1-yl]-N,N-dimethylmethanamine (PubChem CID 129060023) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 1-[3-(methoxymethyl)-1-methylcyclohepta-2,4-dien-1-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[3-(methoxymethyl)-1-methylcyclohepta-2,4-dien-1-yl]-N,N-dimethylmethanamine
PubChem CID129060023
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name1-[3-(methoxymethyl)-1-methylcyclohepta-2,4-dien-1-yl]-N,N-dimethylmethanamine
SMILESCOCC1=CC(C)(CN(C)C)CCC=C1
InChIInChI=1S/C13H23NO/c1-13(11-14(2)3)8-6-5-7-12(9-13)10-15-4/h5,7,9H,6,8,10-11H2,1-4H3
InChIKeySERSUCMQTIRABG-UHFFFAOYSA-N
XLogP2.48
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[3-(methoxymethyl)-1-methylcyclohepta-2,4-dien-1-yl]-N,N-dimethylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methoxymethyl)-1-methylcyclohepta-2,4-dien-1-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[3-(methoxymethyl)-1-methylcyclohepta-2,4-dien-1-yl]-N,N-dimethylmethanamine (CID 129060023) is 1-[3-(methoxymethyl)-1-methylcyclohepta-2,4-dien-1-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[3-(methoxymethyl)-1-methylcyclohepta-2,4-dien-1-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[3-(methoxymethyl)-1-methylcyclohepta-2,4-dien-1-yl]-N,N-dimethylmethanamine is COCC1=CC(C)(CN(C)C)CCC=C1.
What is the InChIKey of 1-[3-(methoxymethyl)-1-methylcyclohepta-2,4-dien-1-yl]-N,N-dimethylmethanamine?
The InChIKey is SERSUCMQTIRABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-13(11-14(2)3)8-6-5-7-12(9-13)10-15-4/h5,7,9H,6,8,10-11H2,1-4H3.
What are the key properties of 1-[3-(methoxymethyl)-1-methylcyclohepta-2,4-dien-1-yl]-N,N-dimethylmethanamine?
1-[3-(methoxymethyl)-1-methylcyclohepta-2,4-dien-1-yl]-N,N-dimethylmethanamine has a molecular weight of 209.33 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methoxymethyl)-1-methylcyclohepta-2,4-dien-1-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 129060023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).