(1R)-1-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine

C11H21N3O — CID 104901611

IUPAC(1R)-1-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
SMILESCC(C)[C@@H](N)c1nc(CC(C)(C)C)no1
InChIInChI=1S/C11H21N3O/c1-7(2)9(12)10-13-8(14-15-10)6-11(3,4)5/h7,9H,6,12H2,1-5H3/t9-/m1/s1
InChIKeySATYJEIUSBDJGJ-SECBINFHSA-N
MW211.31 g/mol
LogP2.31
Rot. Bonds3

About (1R)-1-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine

(1R)-1-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine (PubChem CID 104901611) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is (1R)-1-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name(1R)-1-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
PubChem CID104901611
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name(1R)-1-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
SMILESCC(C)[C@@H](N)c1nc(CC(C)(C)C)no1
InChIInChI=1S/C11H21N3O/c1-7(2)9(12)10-13-8(14-15-10)6-11(3,4)5/h7,9H,6,12H2,1-5H3/t9-/m1/s1
InChIKeySATYJEIUSBDJGJ-SECBINFHSA-N
XLogP2.31
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 65221685
3-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63892393
1-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 79077153
3-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine
CID 63892419
(1R)-2-methyl-1-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104901635
(1S)-2,2-dimethyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104899376
(1S)-2-methyl-1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 113310656
1-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 65133449
1-[3-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 62828439
(1R)-1-[3-[(2,6-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 104901558
(1R)-1-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 104901643
1-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 61375320

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine?
The IUPAC name of (1R)-1-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine (CID 104901611) is (1R)-1-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine.
What is the SMILES notation for (1R)-1-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine?
The canonical SMILES for (1R)-1-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine is CC(C)[C@@H](N)c1nc(CC(C)(C)C)no1.
What is the InChIKey of (1R)-1-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine?
The InChIKey is SATYJEIUSBDJGJ-SECBINFHSA-N. The full InChI is InChI=1S/C11H21N3O/c1-7(2)9(12)10-13-8(14-15-10)6-11(3,4)5/h7,9H,6,12H2,1-5H3/t9-/m1/s1.
What are the key properties of (1R)-1-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine?
(1R)-1-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine has a molecular weight of 211.31 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 104901611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).