N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-ethyl-N'-methylpropane-1,3-diamine

C15H23N3O — CID 115255151

IUPACN-[2-(1,3-benzoxazol-6-yl)ethyl]-2-ethyl-N'-methylpropane-1,3-diamine
SMILESCCC(CNC)CNCCc1ccc2ncoc2c1
InChIInChI=1S/C15H23N3O/c1-3-12(9-16-2)10-17-7-6-13-4-5-14-15(8-13)19-11-18-14/h4-5,8,11-12,16-17H,3,6-7,9-10H2,1-2H3
InChIKeyPOZSZLTUVWRYTH-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.21
Rot. Bonds8

About N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-ethyl-N'-methylpropane-1,3-diamine

N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-ethyl-N'-methylpropane-1,3-diamine (PubChem CID 115255151) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-ethyl-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[2-(1,3-benzoxazol-6-yl)ethyl]-2-ethyl-N'-methylpropane-1,3-diamine
PubChem CID115255151
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-[2-(1,3-benzoxazol-6-yl)ethyl]-2-ethyl-N'-methylpropane-1,3-diamine
SMILESCCC(CNC)CNCCc1ccc2ncoc2c1
InChIInChI=1S/C15H23N3O/c1-3-12(9-16-2)10-17-7-6-13-4-5-14-15(8-13)19-11-18-14/h4-5,8,11-12,16-17H,3,6-7,9-10H2,1-2H3
InChIKeyPOZSZLTUVWRYTH-UHFFFAOYSA-N
XLogP2.21
TPSA50.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-ethyl-N'-methylpropane-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

N'-[2-(1,3-benzoxazol-6-yl)ethyl]-2-ethylpropane-1,3-diamine
CID 115251673
2-(1,3-benzoxazol-6-ylmethyl)-N-methylbutan-1-amine
CID 116931858
N-[2-(1,3-benzoxazol-6-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 115206591
2-amino-3-[2-(1,3-benzoxazol-6-yl)ethylamino]propan-1-ol
CID 115120857
2-(1,3-benzoxazol-5-yl)-N-ethylethanamine
CID 82490944
N'-(1,3-benzoxazol-6-ylmethyl)-N-ethylethane-1,2-diamine
CID 115205865
1-[2-(1,3-benzoxazol-6-yl)ethyl]-3-methylurea
CID 115169389
3-[[2-(1,3-benzoxazol-6-yl)ethylamino]methyl]cyclobutan-1-amine
CID 115214300
N-[2-(1,3-benzoxazol-6-yl)ethyl]-3-methylbutanamide
CID 110790910
2-ethyl-N-methyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine
CID 115255161
1-N-(1,3-benzoxazol-6-ylmethyl)butane-1,3-diamine
CID 115199329
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(1,3-benzoxazol-6-yl)ethanamine
CID 115245921

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-ethyl-N'-methylpropane-1,3-diamine?
The IUPAC name of N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-ethyl-N'-methylpropane-1,3-diamine (CID 115255151) is N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-ethyl-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-ethyl-N'-methylpropane-1,3-diamine?
The canonical SMILES for N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-ethyl-N'-methylpropane-1,3-diamine is CCC(CNC)CNCCc1ccc2ncoc2c1.
What is the InChIKey of N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-ethyl-N'-methylpropane-1,3-diamine?
The InChIKey is POZSZLTUVWRYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-3-12(9-16-2)10-17-7-6-13-4-5-14-15(8-13)19-11-18-14/h4-5,8,11-12,16-17H,3,6-7,9-10H2,1-2H3.
What are the key properties of N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-ethyl-N'-methylpropane-1,3-diamine?
N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-ethyl-N'-methylpropane-1,3-diamine has a molecular weight of 261.37 g/mol, XLogP of 2.21, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-ethyl-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 115255151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).