3-N-(cyclobutylmethyl)-5-ethoxy-3-N-ethylbenzene-1,3-diamine

C15H24N2O — CID 107397110

IUPAC3-N-(cyclobutylmethyl)-5-ethoxy-3-N-ethylbenzene-1,3-diamine
SMILESCCOc1cc(N)cc(N(CC)CC2CCC2)c1
InChIInChI=1S/C15H24N2O/c1-3-17(11-12-6-5-7-12)14-8-13(16)9-15(10-14)18-4-2/h8-10,12H,3-7,11,16H2,1-2H3
InChIKeyOKIUEDZOURFIRH-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.29
Rot. Bonds6

About 3-N-(cyclobutylmethyl)-5-ethoxy-3-N-ethylbenzene-1,3-diamine

3-N-(cyclobutylmethyl)-5-ethoxy-3-N-ethylbenzene-1,3-diamine (PubChem CID 107397110) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-N-(cyclobutylmethyl)-5-ethoxy-3-N-ethylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(cyclobutylmethyl)-5-ethoxy-3-N-ethylbenzene-1,3-diamine
PubChem CID107397110
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-N-(cyclobutylmethyl)-5-ethoxy-3-N-ethylbenzene-1,3-diamine
SMILESCCOc1cc(N)cc(N(CC)CC2CCC2)c1
InChIInChI=1S/C15H24N2O/c1-3-17(11-12-6-5-7-12)14-8-13(16)9-15(10-14)18-4-2/h8-10,12H,3-7,11,16H2,1-2H3
InChIKeyOKIUEDZOURFIRH-UHFFFAOYSA-N
XLogP3.29
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-N-(cyclobutylmethyl)-5-ethoxy-3-N-ethylbenzene-1,3-diamine with MolForge

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

Launch Full Analysis

Related Compounds

3-N-(cyclobutylmethyl)-3-N-ethyl-5-propoxybenzene-1,3-diamine
CID 107397232
3-N-(cyclobutylmethyl)-3-N-ethyl-5-methylbenzene-1,3-diamine
CID 107397082
3-N-cyclohexyl-5-ethoxy-3-N-ethylbenzene-1,3-diamine
CID 80725295
3-N-(cyclopropylmethyl)-5-ethoxy-3-N-propan-2-ylbenzene-1,3-diamine
CID 80739493
5-ethoxy-3-N-ethyl-3-N-(2-methoxyethyl)benzene-1,3-diamine
CID 80728549
1-N-(cyclobutylmethyl)-1-N-ethyl-2,6-difluorobenzene-1,4-diamine
CID 107397225
3-(cyclohexylmethoxy)-5-ethoxyaniline
CID 80748419
5-ethoxy-3-N-ethyl-3-N-methylbenzene-1,3-diamine
CID 80722151
3-N,3-N-dibutyl-5-ethoxybenzene-1,3-diamine
CID 80722097
3-N-cyclopropyl-5-ethoxy-3-N-propylbenzene-1,3-diamine
CID 80722157
5-ethoxy-3-N-ethyl-3-N-[(2-methylphenyl)methyl]benzene-1,3-diamine
CID 80725020
3,5-diethoxyaniline
CID 22605063

Frequently Asked Questions

What is the IUPAC name of 3-N-(cyclobutylmethyl)-5-ethoxy-3-N-ethylbenzene-1,3-diamine?
The IUPAC name of 3-N-(cyclobutylmethyl)-5-ethoxy-3-N-ethylbenzene-1,3-diamine (CID 107397110) is 3-N-(cyclobutylmethyl)-5-ethoxy-3-N-ethylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-(cyclobutylmethyl)-5-ethoxy-3-N-ethylbenzene-1,3-diamine?
The canonical SMILES for 3-N-(cyclobutylmethyl)-5-ethoxy-3-N-ethylbenzene-1,3-diamine is CCOc1cc(N)cc(N(CC)CC2CCC2)c1.
What is the InChIKey of 3-N-(cyclobutylmethyl)-5-ethoxy-3-N-ethylbenzene-1,3-diamine?
The InChIKey is OKIUEDZOURFIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-17(11-12-6-5-7-12)14-8-13(16)9-15(10-14)18-4-2/h8-10,12H,3-7,11,16H2,1-2H3.
What are the key properties of 3-N-(cyclobutylmethyl)-5-ethoxy-3-N-ethylbenzene-1,3-diamine?
3-N-(cyclobutylmethyl)-5-ethoxy-3-N-ethylbenzene-1,3-diamine has a molecular weight of 248.37 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(cyclobutylmethyl)-5-ethoxy-3-N-ethylbenzene-1,3-diamine is sourced from PubChem (CID 107397110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).