2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine

C7H13N3O — CID 22574793

IUPAC2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine
SMILESCc1noc(C(N)C(C)C)n1
InChIInChI=1S/C7H13N3O/c1-4(2)6(8)7-9-5(3)10-11-7/h4,6H,8H2,1-3H3
InChIKeyFXYRTTMATPBDLI-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.03
Rot. Bonds2

About 2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine

2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine (PubChem CID 22574793) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine
PubChem CID22574793
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine
SMILESCc1noc(C(N)C(C)C)n1
InChIInChI=1S/C7H13N3O/c1-4(2)6(8)7-9-5(3)10-11-7/h4,6H,8H2,1-3H3
InChIKeyFXYRTTMATPBDLI-UHFFFAOYSA-N
XLogP1.03
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine?
The IUPAC name of 2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine (CID 22574793) is 2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine.
What is the SMILES notation for 2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine?
The canonical SMILES for 2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine is Cc1noc(C(N)C(C)C)n1.
What is the InChIKey of 2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine?
The InChIKey is FXYRTTMATPBDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-4(2)6(8)7-9-5(3)10-11-7/h4,6H,8H2,1-3H3.
What are the key properties of 2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine?
2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine has a molecular weight of 155.20 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine is sourced from PubChem (CID 22574793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).