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

C11H21N3O — CID 63347670

IUPAC3-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine
SMILESCCCNC(Cc1nc(C)no1)C(C)C
InChIInChI=1S/C11H21N3O/c1-5-6-12-10(8(2)3)7-11-13-9(4)14-15-11/h8,10,12H,5-7H2,1-4H3
InChIKeyULWJHCFZMCHMTG-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.94
Rot. Bonds6

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

3-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine (PubChem CID 63347670) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 3-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine.

Molecular Properties

Compound Name3-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine
PubChem CID63347670
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name3-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine
SMILESCCCNC(Cc1nc(C)no1)C(C)C
InChIInChI=1S/C11H21N3O/c1-5-6-12-10(8(2)3)7-11-13-9(4)14-15-11/h8,10,12H,5-7H2,1-4H3
InChIKeyULWJHCFZMCHMTG-UHFFFAOYSA-N
XLogP1.94
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-3-methyl-N-propylbutan-2-amine
CID 79086274
1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-3-methyl-N-propylbutan-2-amine
CID 63347774
3-methyl-N-propyl-1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 116809104
2-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]pentan-3-amine
CID 115889350
1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-N-propylbutan-2-amine
CID 63348126
1-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-3-methyl-N-propylbutan-2-amine
CID 116781067
3-methyl-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine
CID 116809221
1-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methyl-N-propylbutan-2-amine
CID 104612019
3-methyl-5-(2-methylpropyl)-1,2,4-oxadiazole;propane
CID 171626644
1-methoxy-3-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butan-2-amine
CID 115889167
3-methyl-N-propyl-1-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 80636580
1-[3-(1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]-3-methyl-N-propylbutan-2-amine
CID 79965995

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine?
The IUPAC name of 3-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine (CID 63347670) is 3-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine.
What is the SMILES notation for 3-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine?
The canonical SMILES for 3-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine is CCCNC(Cc1nc(C)no1)C(C)C.
What is the InChIKey of 3-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine?
The InChIKey is ULWJHCFZMCHMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-5-6-12-10(8(2)3)7-11-13-9(4)14-15-11/h8,10,12H,5-7H2,1-4H3.
What are the key properties of 3-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine?
3-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine has a molecular weight of 211.31 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine is sourced from PubChem (CID 63347670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).