1-N-(3-ethoxycyclobutyl)-4-N,4-N,2-trimethylbenzene-1,4-diamine

C15H24N2O — CID 112561855

IUPAC1-N-(3-ethoxycyclobutyl)-4-N,4-N,2-trimethylbenzene-1,4-diamine
SMILESCCOC1CC(Nc2ccc(N(C)C)cc2C)C1
InChIInChI=1S/C15H24N2O/c1-5-18-14-9-12(10-14)16-15-7-6-13(17(3)4)8-11(15)2/h6-8,12,14,16H,5,9-10H2,1-4H3
InChIKeyQOHNCNJAUJRVSL-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.04
Rot. Bonds5

About 1-N-(3-ethoxycyclobutyl)-4-N,4-N,2-trimethylbenzene-1,4-diamine

1-N-(3-ethoxycyclobutyl)-4-N,4-N,2-trimethylbenzene-1,4-diamine (PubChem CID 112561855) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-N-(3-ethoxycyclobutyl)-4-N,4-N,2-trimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(3-ethoxycyclobutyl)-4-N,4-N,2-trimethylbenzene-1,4-diamine
PubChem CID112561855
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-N-(3-ethoxycyclobutyl)-4-N,4-N,2-trimethylbenzene-1,4-diamine
SMILESCCOC1CC(Nc2ccc(N(C)C)cc2C)C1
InChIInChI=1S/C15H24N2O/c1-5-18-14-9-12(10-14)16-15-7-6-13(17(3)4)8-11(15)2/h6-8,12,14,16H,5,9-10H2,1-4H3
InChIKeyQOHNCNJAUJRVSL-UHFFFAOYSA-N
XLogP3.04
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 1-N-(3-ethoxycyclobutyl)-4-N,4-N,2-trimethylbenzene-1,4-diamine 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-N-(3-ethoxycyclobutyl)-4-N,4-N,2-trimethylbenzene-1,4-diamine?
The IUPAC name of 1-N-(3-ethoxycyclobutyl)-4-N,4-N,2-trimethylbenzene-1,4-diamine (CID 112561855) is 1-N-(3-ethoxycyclobutyl)-4-N,4-N,2-trimethylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-(3-ethoxycyclobutyl)-4-N,4-N,2-trimethylbenzene-1,4-diamine?
The canonical SMILES for 1-N-(3-ethoxycyclobutyl)-4-N,4-N,2-trimethylbenzene-1,4-diamine is CCOC1CC(Nc2ccc(N(C)C)cc2C)C1.
What is the InChIKey of 1-N-(3-ethoxycyclobutyl)-4-N,4-N,2-trimethylbenzene-1,4-diamine?
The InChIKey is QOHNCNJAUJRVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-5-18-14-9-12(10-14)16-15-7-6-13(17(3)4)8-11(15)2/h6-8,12,14,16H,5,9-10H2,1-4H3.
What are the key properties of 1-N-(3-ethoxycyclobutyl)-4-N,4-N,2-trimethylbenzene-1,4-diamine?
1-N-(3-ethoxycyclobutyl)-4-N,4-N,2-trimethylbenzene-1,4-diamine has a molecular weight of 248.37 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-ethoxycyclobutyl)-4-N,4-N,2-trimethylbenzene-1,4-diamine is sourced from PubChem (CID 112561855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).