2,2-dimethyl-1-[5-(2-methylbutyl)-1,2,4-oxadiazol-3-yl]propan-1-amine

C12H23N3O — CID 114876392

IUPAC2,2-dimethyl-1-[5-(2-methylbutyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESCCC(C)Cc1nc(C(N)C(C)(C)C)no1
InChIInChI=1S/C12H23N3O/c1-6-8(2)7-9-14-11(15-16-9)10(13)12(3,4)5/h8,10H,6-7,13H2,1-5H3
InChIKeyGKJLXUJSQCVOIZ-UHFFFAOYSA-N
MW225.34 g/mol
LogP2.70
Rot. Bonds4

About 2,2-dimethyl-1-[5-(2-methylbutyl)-1,2,4-oxadiazol-3-yl]propan-1-amine

2,2-dimethyl-1-[5-(2-methylbutyl)-1,2,4-oxadiazol-3-yl]propan-1-amine (PubChem CID 114876392) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2,2-dimethyl-1-[5-(2-methylbutyl)-1,2,4-oxadiazol-3-yl]propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-1-[5-(2-methylbutyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
PubChem CID114876392
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2,2-dimethyl-1-[5-(2-methylbutyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESCCC(C)Cc1nc(C(N)C(C)(C)C)no1
InChIInChI=1S/C12H23N3O/c1-6-8(2)7-9-14-11(15-16-9)10(13)12(3,4)5/h8,10H,6-7,13H2,1-5H3
InChIKeyGKJLXUJSQCVOIZ-UHFFFAOYSA-N
XLogP2.70
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(2-methylbutyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 102660564
2,2-dimethyl-1-[5-(2-propoxyethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 62715829
1-[5-(2-methylbutyl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine
CID 114876459
1-[5-(2,3,3-trimethylbutyl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096173
1-(5-benzyl-1,2,4-oxadiazol-3-yl)-2,2-dimethylpropan-1-amine
CID 61323629
2-amino-2-[5-(2,3,3-trimethylbutyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633382
2-ethoxy-1-[5-(2,3,3-trimethylbutyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 113435450
N',N'-dimethyl-1-[5-(2,4,4-trimethylpentyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 104635083
2,2-dimethyl-1-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 61323826
3-(1-chloroethyl)-5-(2,4,4-trimethylpentyl)-1,2,4-oxadiazole
CID 102661256
1-[5-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine
CID 63047196
1-[5-[2-(4-methoxyphenyl)ethyl]-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine
CID 61324231

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[5-(2-methylbutyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The IUPAC name of 2,2-dimethyl-1-[5-(2-methylbutyl)-1,2,4-oxadiazol-3-yl]propan-1-amine (CID 114876392) is 2,2-dimethyl-1-[5-(2-methylbutyl)-1,2,4-oxadiazol-3-yl]propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-1-[5-(2-methylbutyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The canonical SMILES for 2,2-dimethyl-1-[5-(2-methylbutyl)-1,2,4-oxadiazol-3-yl]propan-1-amine is CCC(C)Cc1nc(C(N)C(C)(C)C)no1.
What is the InChIKey of 2,2-dimethyl-1-[5-(2-methylbutyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The InChIKey is GKJLXUJSQCVOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-6-8(2)7-9-14-11(15-16-9)10(13)12(3,4)5/h8,10H,6-7,13H2,1-5H3.
What are the key properties of 2,2-dimethyl-1-[5-(2-methylbutyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
2,2-dimethyl-1-[5-(2-methylbutyl)-1,2,4-oxadiazol-3-yl]propan-1-amine has a molecular weight of 225.34 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[5-(2-methylbutyl)-1,2,4-oxadiazol-3-yl]propan-1-amine is sourced from PubChem (CID 114876392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).