2-methyl-1-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)propan-1-amine

C12H20N2O — CID 112710493

IUPAC2-methyl-1-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)propan-1-amine
SMILESCC1CCc2noc(C(N)C(C)C)c2C1
InChIInChI=1S/C12H20N2O/c1-7(2)11(13)12-9-6-8(3)4-5-10(9)14-15-12/h7-8,11H,4-6,13H2,1-3H3
InChIKeyUXGDZNSNIQUWRK-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.46
Rot. Bonds2

About 2-methyl-1-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)propan-1-amine

2-methyl-1-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)propan-1-amine (PubChem CID 112710493) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-methyl-1-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-1-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)propan-1-amine
PubChem CID112710493
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name2-methyl-1-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)propan-1-amine
SMILESCC1CCc2noc(C(N)C(C)C)c2C1
InChIInChI=1S/C12H20N2O/c1-7(2)11(13)12-9-6-8(3)4-5-10(9)14-15-12/h7-8,11H,4-6,13H2,1-3H3
InChIKeyUXGDZNSNIQUWRK-UHFFFAOYSA-N
XLogP2.46
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)propan-1-amine?
The IUPAC name of 2-methyl-1-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)propan-1-amine (CID 112710493) is 2-methyl-1-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)propan-1-amine.
What is the SMILES notation for 2-methyl-1-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)propan-1-amine?
The canonical SMILES for 2-methyl-1-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)propan-1-amine is CC1CCc2noc(C(N)C(C)C)c2C1.
What is the InChIKey of 2-methyl-1-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)propan-1-amine?
The InChIKey is UXGDZNSNIQUWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-7(2)11(13)12-9-6-8(3)4-5-10(9)14-15-12/h7-8,11H,4-6,13H2,1-3H3.
What are the key properties of 2-methyl-1-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)propan-1-amine?
2-methyl-1-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)propan-1-amine has a molecular weight of 208.31 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)propan-1-amine is sourced from PubChem (CID 112710493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).