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

C11H15N3O — CID 83832898

IUPAC1-N-(6-methyl-1,2-benzoxazol-3-yl)propane-1,2-diamine
SMILESCc1ccc2c(NCC(C)N)noc2c1
InChIInChI=1S/C11H15N3O/c1-7-3-4-9-10(5-7)15-14-11(9)13-6-8(2)12/h3-5,8H,6,12H2,1-2H3,(H,13,14)
InChIKeyZZLMNMOZELDHMA-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.90
Rot. Bonds3

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

1-N-(6-methyl-1,2-benzoxazol-3-yl)propane-1,2-diamine (PubChem CID 83832898) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-N-(6-methyl-1,2-benzoxazol-3-yl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-(6-methyl-1,2-benzoxazol-3-yl)propane-1,2-diamine
PubChem CID83832898
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name1-N-(6-methyl-1,2-benzoxazol-3-yl)propane-1,2-diamine
SMILESCc1ccc2c(NCC(C)N)noc2c1
InChIInChI=1S/C11H15N3O/c1-7-3-4-9-10(5-7)15-14-11(9)13-6-8(2)12/h3-5,8H,6,12H2,1-2H3,(H,13,14)
InChIKeyZZLMNMOZELDHMA-UHFFFAOYSA-N
XLogP1.90
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-(6-methyl-1,2-benzoxazol-3-yl)propane-1,2-diamine?
The IUPAC name of 1-N-(6-methyl-1,2-benzoxazol-3-yl)propane-1,2-diamine (CID 83832898) is 1-N-(6-methyl-1,2-benzoxazol-3-yl)propane-1,2-diamine.
What is the SMILES notation for 1-N-(6-methyl-1,2-benzoxazol-3-yl)propane-1,2-diamine?
The canonical SMILES for 1-N-(6-methyl-1,2-benzoxazol-3-yl)propane-1,2-diamine is Cc1ccc2c(NCC(C)N)noc2c1.
What is the InChIKey of 1-N-(6-methyl-1,2-benzoxazol-3-yl)propane-1,2-diamine?
The InChIKey is ZZLMNMOZELDHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-7-3-4-9-10(5-7)15-14-11(9)13-6-8(2)12/h3-5,8H,6,12H2,1-2H3,(H,13,14).
What are the key properties of 1-N-(6-methyl-1,2-benzoxazol-3-yl)propane-1,2-diamine?
1-N-(6-methyl-1,2-benzoxazol-3-yl)propane-1,2-diamine has a molecular weight of 205.26 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(6-methyl-1,2-benzoxazol-3-yl)propane-1,2-diamine is sourced from PubChem (CID 83832898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).