N,N-dimethyl-2-(5-methylcyclohexa-1,4-dien-1-yl)oxyethanamine

C11H19NO — CID 547191

IUPACN,N-dimethyl-2-(5-methylcyclohexa-1,4-dien-1-yl)oxyethanamine
SMILESCC1=CCC=C(OCCN(C)C)C1
InChIInChI=1S/C11H19NO/c1-10-5-4-6-11(9-10)13-8-7-12(2)3/h5-6H,4,7-9H2,1-3H3
InChIKeyAKAXUCXWHSIBNV-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.19
Rot. Bonds4

About N,N-dimethyl-2-(5-methylcyclohexa-1,4-dien-1-yl)oxyethanamine

N,N-dimethyl-2-(5-methylcyclohexa-1,4-dien-1-yl)oxyethanamine (PubChem CID 547191) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N,N-dimethyl-2-(5-methylcyclohexa-1,4-dien-1-yl)oxyethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(5-methylcyclohexa-1,4-dien-1-yl)oxyethanamine
PubChem CID547191
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN,N-dimethyl-2-(5-methylcyclohexa-1,4-dien-1-yl)oxyethanamine
SMILESCC1=CCC=C(OCCN(C)C)C1
InChIInChI=1S/C11H19NO/c1-10-5-4-6-11(9-10)13-8-7-12(2)3/h5-6H,4,7-9H2,1-3H3
InChIKeyAKAXUCXWHSIBNV-UHFFFAOYSA-N
XLogP2.19
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N,N-dimethyl-2-(5-methylcyclohexa-1,4-dien-1-yl)oxyethanamine 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 N,N-dimethyl-2-(5-methylcyclohexa-1,4-dien-1-yl)oxyethanamine?
The IUPAC name of N,N-dimethyl-2-(5-methylcyclohexa-1,4-dien-1-yl)oxyethanamine (CID 547191) is N,N-dimethyl-2-(5-methylcyclohexa-1,4-dien-1-yl)oxyethanamine.
What is the SMILES notation for N,N-dimethyl-2-(5-methylcyclohexa-1,4-dien-1-yl)oxyethanamine?
The canonical SMILES for N,N-dimethyl-2-(5-methylcyclohexa-1,4-dien-1-yl)oxyethanamine is CC1=CCC=C(OCCN(C)C)C1.
What is the InChIKey of N,N-dimethyl-2-(5-methylcyclohexa-1,4-dien-1-yl)oxyethanamine?
The InChIKey is AKAXUCXWHSIBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-10-5-4-6-11(9-10)13-8-7-12(2)3/h5-6H,4,7-9H2,1-3H3.
What are the key properties of N,N-dimethyl-2-(5-methylcyclohexa-1,4-dien-1-yl)oxyethanamine?
N,N-dimethyl-2-(5-methylcyclohexa-1,4-dien-1-yl)oxyethanamine has a molecular weight of 181.28 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(5-methylcyclohexa-1,4-dien-1-yl)oxyethanamine is sourced from PubChem (CID 547191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).