1-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-ethyl-3-methylbutan-2-amine

C12H24N4O — CID 79086275

IUPAC1-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-ethyl-3-methylbutan-2-amine
SMILESCCNC(Cc1nc(CN(C)C)no1)C(C)C
InChIInChI=1S/C12H24N4O/c1-6-13-10(9(2)3)7-12-14-11(15-17-12)8-16(4)5/h9-10,13H,6-8H2,1-5H3
InChIKeyBJOXWUSKYFHQLB-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.31
Rot. Bonds7

About 1-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-ethyl-3-methylbutan-2-amine

1-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-ethyl-3-methylbutan-2-amine (PubChem CID 79086275) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-ethyl-3-methylbutan-2-amine.

Molecular Properties

Compound Name1-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-ethyl-3-methylbutan-2-amine
PubChem CID79086275
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Name1-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-ethyl-3-methylbutan-2-amine
SMILESCCNC(Cc1nc(CN(C)C)no1)C(C)C
InChIInChI=1S/C12H24N4O/c1-6-13-10(9(2)3)7-12-14-11(15-17-12)8-16(4)5/h9-10,13H,6-8H2,1-5H3
InChIKeyBJOXWUSKYFHQLB-UHFFFAOYSA-N
XLogP1.31
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-3-methyl-N-propylbutan-2-amine
CID 79086274
N-ethyl-3-methyl-1-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63350659
N-ethyl-1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine
CID 63347693
N-ethyl-3-methyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 82007807
1-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine
CID 79085499
2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
CID 79077361
1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-ethyl-3-methylbutan-2-amine
CID 116733616
N-ethyl-3-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 55203186
N,N-dimethyl-5-[3-methyl-2-(methylamino)butyl]-1,2,4-oxadiazol-3-amine
CID 116799824
2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-methyl-1-phenylethanamine
CID 79086484
N-ethyl-N-methyl-5-[3-methyl-2-(methylamino)butyl]-1,2,4-oxadiazol-3-amine
CID 116809385
3-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine
CID 63347670

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-ethyl-3-methylbutan-2-amine?
The IUPAC name of 1-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-ethyl-3-methylbutan-2-amine (CID 79086275) is 1-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-ethyl-3-methylbutan-2-amine.
What is the SMILES notation for 1-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-ethyl-3-methylbutan-2-amine?
The canonical SMILES for 1-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-ethyl-3-methylbutan-2-amine is CCNC(Cc1nc(CN(C)C)no1)C(C)C.
What is the InChIKey of 1-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-ethyl-3-methylbutan-2-amine?
The InChIKey is BJOXWUSKYFHQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-6-13-10(9(2)3)7-12-14-11(15-17-12)8-16(4)5/h9-10,13H,6-8H2,1-5H3.
What are the key properties of 1-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-ethyl-3-methylbutan-2-amine?
1-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-ethyl-3-methylbutan-2-amine has a molecular weight of 240.35 g/mol, XLogP of 1.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-ethyl-3-methylbutan-2-amine is sourced from PubChem (CID 79086275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).