N-methyl-N'-(2-methyl-1,3-benzoxazol-6-yl)ethane-1,2-diamine

C11H15N3O — CID 115195764

IUPACN-methyl-N'-(2-methyl-1,3-benzoxazol-6-yl)ethane-1,2-diamine
SMILESCNCCNc1ccc2nc(C)oc2c1
InChIInChI=1S/C11H15N3O/c1-8-14-10-4-3-9(7-11(10)15-8)13-6-5-12-2/h3-4,7,12-13H,5-6H2,1-2H3
InChIKeyWMZZJKUIBTUMCR-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.77
Rot. Bonds4

About N-methyl-N'-(2-methyl-1,3-benzoxazol-6-yl)ethane-1,2-diamine

N-methyl-N'-(2-methyl-1,3-benzoxazol-6-yl)ethane-1,2-diamine (PubChem CID 115195764) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is N-methyl-N'-(2-methyl-1,3-benzoxazol-6-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N'-(2-methyl-1,3-benzoxazol-6-yl)ethane-1,2-diamine
PubChem CID115195764
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC NameN-methyl-N'-(2-methyl-1,3-benzoxazol-6-yl)ethane-1,2-diamine
SMILESCNCCNc1ccc2nc(C)oc2c1
InChIInChI=1S/C11H15N3O/c1-8-14-10-4-3-9(7-11(10)15-8)13-6-5-12-2/h3-4,7,12-13H,5-6H2,1-2H3
InChIKeyWMZZJKUIBTUMCR-UHFFFAOYSA-N
XLogP1.77
TPSA50.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-methyl-N'-(2-methyl-1,3-benzoxazol-6-yl)ethane-1,2-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-methyl-1,3-benzoxazol-6-yl)propane-1,3-diamine
CID 115197129
N-ethyl-N'-(2-methyl-1,3-benzoxazol-6-yl)ethane-1,2-diamine
CID 115205626
N-(hydrazinylmethyl)-2-methyl-1,3-benzoxazol-6-amine
CID 115260505
[(2-methyl-1,3-benzoxazol-6-yl)amino]methanol
CID 115228727
2-methyl-N-(2-piperazin-1-ylethyl)-1,3-benzoxazol-6-amine
CID 115230297
2-amino-3-[(2-methyl-1,3-benzoxazol-6-yl)amino]propan-1-ol
CID 115120319
N'-(2-methyl-1,3-benzoxazol-5-yl)butane-1,4-diamine
CID 115201041
2-methyl-N-(2-piperidin-3-ylethyl)-1,3-benzoxazol-6-amine
CID 115211282
N-methyl-N'-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]methanediamine
CID 115227219
N,N'-dimethyl-1-(2-methyl-1,3-benzoxazol-6-yl)propane-1,3-diamine
CID 116948599
N-(2-methyl-1,3-benzoxazol-6-yl)carbamoyl bromide
CID 115193310
N-cyclopropyl-2-methyl-1,3-benzoxazol-6-amine
CID 83483514

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-(2-methyl-1,3-benzoxazol-6-yl)ethane-1,2-diamine?
The IUPAC name of N-methyl-N'-(2-methyl-1,3-benzoxazol-6-yl)ethane-1,2-diamine (CID 115195764) is N-methyl-N'-(2-methyl-1,3-benzoxazol-6-yl)ethane-1,2-diamine.
What is the SMILES notation for N-methyl-N'-(2-methyl-1,3-benzoxazol-6-yl)ethane-1,2-diamine?
The canonical SMILES for N-methyl-N'-(2-methyl-1,3-benzoxazol-6-yl)ethane-1,2-diamine is CNCCNc1ccc2nc(C)oc2c1.
What is the InChIKey of N-methyl-N'-(2-methyl-1,3-benzoxazol-6-yl)ethane-1,2-diamine?
The InChIKey is WMZZJKUIBTUMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-8-14-10-4-3-9(7-11(10)15-8)13-6-5-12-2/h3-4,7,12-13H,5-6H2,1-2H3.
What are the key properties of N-methyl-N'-(2-methyl-1,3-benzoxazol-6-yl)ethane-1,2-diamine?
N-methyl-N'-(2-methyl-1,3-benzoxazol-6-yl)ethane-1,2-diamine has a molecular weight of 205.26 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-(2-methyl-1,3-benzoxazol-6-yl)ethane-1,2-diamine is sourced from PubChem (CID 115195764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).