2-(2,5-dimethylcyclohepta-1,3,6-trien-1-yl)oxy-N,N-dimethylethanamine;methane

C14H25NO — CID 142981286

IUPAC2-(2,5-dimethylcyclohepta-1,3,6-trien-1-yl)oxy-N,N-dimethylethanamine;methane
SMILESC.CC1=C(OCCN(C)C)C=CC(C)C=C1
InChIInChI=1S/C13H21NO.CH4/c1-11-5-7-12(2)13(8-6-11)15-10-9-14(3)4;/h5-8,11H,9-10H2,1-4H3;1H4
InChIKeyGMFWVIRBGMVPJQ-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.24
Rot. Bonds4

About 2-(2,5-dimethylcyclohepta-1,3,6-trien-1-yl)oxy-N,N-dimethylethanamine;methane

2-(2,5-dimethylcyclohepta-1,3,6-trien-1-yl)oxy-N,N-dimethylethanamine;methane (PubChem CID 142981286) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-(2,5-dimethylcyclohepta-1,3,6-trien-1-yl)oxy-N,N-dimethylethanamine;methane.

Molecular Properties

Compound Name2-(2,5-dimethylcyclohepta-1,3,6-trien-1-yl)oxy-N,N-dimethylethanamine;methane
PubChem CID142981286
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name2-(2,5-dimethylcyclohepta-1,3,6-trien-1-yl)oxy-N,N-dimethylethanamine;methane
SMILESC.CC1=C(OCCN(C)C)C=CC(C)C=C1
InChIInChI=1S/C13H21NO.CH4/c1-11-5-7-12(2)13(8-6-11)15-10-9-14(3)4;/h5-8,11H,9-10H2,1-4H3;1H4
InChIKeyGMFWVIRBGMVPJQ-UHFFFAOYSA-N
XLogP3.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2,5-dimethylcyclohepta-1,3,6-trien-1-yl)oxy-N,N-dimethylethanamine;methane 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 2-(2,5-dimethylcyclohepta-1,3,6-trien-1-yl)oxy-N,N-dimethylethanamine;methane?
The IUPAC name of 2-(2,5-dimethylcyclohepta-1,3,6-trien-1-yl)oxy-N,N-dimethylethanamine;methane (CID 142981286) is 2-(2,5-dimethylcyclohepta-1,3,6-trien-1-yl)oxy-N,N-dimethylethanamine;methane.
What is the SMILES notation for 2-(2,5-dimethylcyclohepta-1,3,6-trien-1-yl)oxy-N,N-dimethylethanamine;methane?
The canonical SMILES for 2-(2,5-dimethylcyclohepta-1,3,6-trien-1-yl)oxy-N,N-dimethylethanamine;methane is C.CC1=C(OCCN(C)C)C=CC(C)C=C1.
What is the InChIKey of 2-(2,5-dimethylcyclohepta-1,3,6-trien-1-yl)oxy-N,N-dimethylethanamine;methane?
The InChIKey is GMFWVIRBGMVPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO.CH4/c1-11-5-7-12(2)13(8-6-11)15-10-9-14(3)4;/h5-8,11H,9-10H2,1-4H3;1H4.
What are the key properties of 2-(2,5-dimethylcyclohepta-1,3,6-trien-1-yl)oxy-N,N-dimethylethanamine;methane?
2-(2,5-dimethylcyclohepta-1,3,6-trien-1-yl)oxy-N,N-dimethylethanamine;methane has a molecular weight of 223.36 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylcyclohepta-1,3,6-trien-1-yl)oxy-N,N-dimethylethanamine;methane is sourced from PubChem (CID 142981286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).