2-N-[2-(dimethylamino)ethyl]-1,3-benzoxazole-2,6-diamine

C11H16N4O — CID 79890228

IUPAC2-N-[2-(dimethylamino)ethyl]-1,3-benzoxazole-2,6-diamine
SMILESCN(C)CCNc1nc2ccc(N)cc2o1
InChIInChI=1S/C11H16N4O/c1-15(2)6-5-13-11-14-9-4-3-8(12)7-10(9)16-11/h3-4,7H,5-6,12H2,1-2H3,(H,13,14)
InChIKeyWOQFFZCYVRCWOV-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.38
Rot. Bonds4

About 2-N-[2-(dimethylamino)ethyl]-1,3-benzoxazole-2,6-diamine

2-N-[2-(dimethylamino)ethyl]-1,3-benzoxazole-2,6-diamine (PubChem CID 79890228) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 2-N-[2-(dimethylamino)ethyl]-1,3-benzoxazole-2,6-diamine.

Molecular Properties

Compound Name2-N-[2-(dimethylamino)ethyl]-1,3-benzoxazole-2,6-diamine
PubChem CID79890228
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name2-N-[2-(dimethylamino)ethyl]-1,3-benzoxazole-2,6-diamine
SMILESCN(C)CCNc1nc2ccc(N)cc2o1
InChIInChI=1S/C11H16N4O/c1-15(2)6-5-13-11-14-9-4-3-8(12)7-10(9)16-11/h3-4,7H,5-6,12H2,1-2H3,(H,13,14)
InChIKeyWOQFFZCYVRCWOV-UHFFFAOYSA-N
XLogP1.38
TPSA67.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(dimethylamino)ethyl]-1,3-benzoxazole-2,6-diamine?
The IUPAC name of 2-N-[2-(dimethylamino)ethyl]-1,3-benzoxazole-2,6-diamine (CID 79890228) is 2-N-[2-(dimethylamino)ethyl]-1,3-benzoxazole-2,6-diamine.
What is the SMILES notation for 2-N-[2-(dimethylamino)ethyl]-1,3-benzoxazole-2,6-diamine?
The canonical SMILES for 2-N-[2-(dimethylamino)ethyl]-1,3-benzoxazole-2,6-diamine is CN(C)CCNc1nc2ccc(N)cc2o1.
What is the InChIKey of 2-N-[2-(dimethylamino)ethyl]-1,3-benzoxazole-2,6-diamine?
The InChIKey is WOQFFZCYVRCWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-15(2)6-5-13-11-14-9-4-3-8(12)7-10(9)16-11/h3-4,7H,5-6,12H2,1-2H3,(H,13,14).
What are the key properties of 2-N-[2-(dimethylamino)ethyl]-1,3-benzoxazole-2,6-diamine?
2-N-[2-(dimethylamino)ethyl]-1,3-benzoxazole-2,6-diamine has a molecular weight of 220.28 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(dimethylamino)ethyl]-1,3-benzoxazole-2,6-diamine is sourced from PubChem (CID 79890228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).