2-ethyl-1-(2-methyl-1,3-benzoxazol-6-yl)propane-1,3-diamine

C13H19N3O — CID 116945511

IUPAC2-ethyl-1-(2-methyl-1,3-benzoxazol-6-yl)propane-1,3-diamine
SMILESCCC(CN)C(N)c1ccc2nc(C)oc2c1
InChIInChI=1S/C13H19N3O/c1-3-9(7-14)13(15)10-4-5-11-12(6-10)17-8(2)16-11/h4-6,9,13H,3,7,14-15H2,1-2H3
InChIKeyQEYBMEZWAALUKZ-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.12
Rot. Bonds4

About 2-ethyl-1-(2-methyl-1,3-benzoxazol-6-yl)propane-1,3-diamine

2-ethyl-1-(2-methyl-1,3-benzoxazol-6-yl)propane-1,3-diamine (PubChem CID 116945511) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-ethyl-1-(2-methyl-1,3-benzoxazol-6-yl)propane-1,3-diamine.

Molecular Properties

Compound Name2-ethyl-1-(2-methyl-1,3-benzoxazol-6-yl)propane-1,3-diamine
PubChem CID116945511
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-ethyl-1-(2-methyl-1,3-benzoxazol-6-yl)propane-1,3-diamine
SMILESCCC(CN)C(N)c1ccc2nc(C)oc2c1
InChIInChI=1S/C13H19N3O/c1-3-9(7-14)13(15)10-4-5-11-12(6-10)17-8(2)16-11/h4-6,9,13H,3,7,14-15H2,1-2H3
InChIKeyQEYBMEZWAALUKZ-UHFFFAOYSA-N
XLogP2.12
TPSA78.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-(2-methyl-1,3-benzoxazol-6-yl)butan-1-amine
CID 82493584
3-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)butan-1-amine
CID 82493621
3-[amino-(2-methyl-1,3-benzoxazol-6-yl)methyl]cyclobutan-1-amine
CID 116937388
N'-ethyl-1-(2-methyl-1,3-benzoxazol-6-yl)ethane-1,2-diamine
CID 116934938
N'-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)methanediamine
CID 116939357
1-amino-2-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)propan-2-ol
CID 116942135
2-(2-methyl-1,3-benzoxazol-6-yl)propan-1-ol
CID 117282404
N'-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)butane-1,4-diamine
CID 116933909
2-bromo-1-(2-methyl-1,3-benzoxazol-6-yl)ethanol
CID 116863243
2-methyl-1-(2-methyl-1,3-benzoxazol-5-yl)butane-1,4-diamine
CID 116934071
N-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)butane-1,4-diamine
CID 116949342
2-chloro-1-(2-methyl-1,3-benzoxazol-6-yl)propan-1-ol
CID 116863715

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2-methyl-1,3-benzoxazol-6-yl)propane-1,3-diamine?
The IUPAC name of 2-ethyl-1-(2-methyl-1,3-benzoxazol-6-yl)propane-1,3-diamine (CID 116945511) is 2-ethyl-1-(2-methyl-1,3-benzoxazol-6-yl)propane-1,3-diamine.
What is the SMILES notation for 2-ethyl-1-(2-methyl-1,3-benzoxazol-6-yl)propane-1,3-diamine?
The canonical SMILES for 2-ethyl-1-(2-methyl-1,3-benzoxazol-6-yl)propane-1,3-diamine is CCC(CN)C(N)c1ccc2nc(C)oc2c1.
What is the InChIKey of 2-ethyl-1-(2-methyl-1,3-benzoxazol-6-yl)propane-1,3-diamine?
The InChIKey is QEYBMEZWAALUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-3-9(7-14)13(15)10-4-5-11-12(6-10)17-8(2)16-11/h4-6,9,13H,3,7,14-15H2,1-2H3.
What are the key properties of 2-ethyl-1-(2-methyl-1,3-benzoxazol-6-yl)propane-1,3-diamine?
2-ethyl-1-(2-methyl-1,3-benzoxazol-6-yl)propane-1,3-diamine has a molecular weight of 233.31 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(2-methyl-1,3-benzoxazol-6-yl)propane-1,3-diamine is sourced from PubChem (CID 116945511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).