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

C9H17N3O — CID 163277320

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)pentan-2-amine
SMILESCc1nc(CC(N)CC(C)C)no1
InChIInChI=1S/C9H17N3O/c1-6(2)4-8(10)5-9-11-7(3)13-12-9/h6,8H,4-5,10H2,1-3H3
InChIKeyBJJABIMMCWVWNR-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.29
Rot. Bonds4

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

4-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)pentan-2-amine (PubChem CID 163277320) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 4-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)pentan-2-amine.

Molecular Properties

Compound Name4-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)pentan-2-amine
PubChem CID163277320
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name4-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)pentan-2-amine
SMILESCc1nc(CC(N)CC(C)C)no1
InChIInChI=1S/C9H17N3O/c1-6(2)4-8(10)5-9-11-7(3)13-12-9/h6,8H,4-5,10H2,1-3H3
InChIKeyBJJABIMMCWVWNR-UHFFFAOYSA-N
XLogP1.29
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)pentan-2-amine?
The IUPAC name of 4-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)pentan-2-amine (CID 163277320) is 4-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)pentan-2-amine.
What is the SMILES notation for 4-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)pentan-2-amine?
The canonical SMILES for 4-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)pentan-2-amine is Cc1nc(CC(N)CC(C)C)no1.
What is the InChIKey of 4-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)pentan-2-amine?
The InChIKey is BJJABIMMCWVWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-6(2)4-8(10)5-9-11-7(3)13-12-9/h6,8H,4-5,10H2,1-3H3.
What are the key properties of 4-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)pentan-2-amine?
4-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)pentan-2-amine has a molecular weight of 183.25 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)pentan-2-amine is sourced from PubChem (CID 163277320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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