N-[[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine

C11H21N3O — CID 63891054

IUPACN-[[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nc(CC(C)(C)C)no1
InChIInChI=1S/C11H21N3O/c1-8(2)12-7-10-13-9(14-15-10)6-11(3,4)5/h8,12H,6-7H2,1-5H3
InChIKeyZSNZKCRRBHPGLI-UHFFFAOYSA-N
MW211.31 g/mol
LogP2.16
Rot. Bonds4

About N-[[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine

N-[[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine (PubChem CID 63891054) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is N-[[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
PubChem CID63891054
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC NameN-[[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nc(CC(C)(C)C)no1
InChIInChI=1S/C11H21N3O/c1-8(2)12-7-10-13-9(14-15-10)6-11(3,4)5/h8,12H,6-7H2,1-5H3
InChIKeyZSNZKCRRBHPGLI-UHFFFAOYSA-N
XLogP2.16
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
CID 62341796
N-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
CID 103472697
1-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N,3,3-trimethylbutan-2-amine
CID 63892002
1-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine
CID 64671674
(2R)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylbutan-2-amine
CID 97184939
(2S)-2-[[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylpentan-1-amine
CID 104916121
5-(2,2-dimethylpropyl)-3-ethyl-1,2,4-oxadiazole
CID 58059649
N-[[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
CID 103473078
N-[[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
CID 112603783
1-cyclopropyl-2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
CID 63892399
N-[[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
CID 116740991
1-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]propan-2-ol
CID 115079148

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine (CID 63891054) is N-[[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine is CC(C)NCc1nc(CC(C)(C)C)no1.
What is the InChIKey of N-[[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine?
The InChIKey is ZSNZKCRRBHPGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-8(2)12-7-10-13-9(14-15-10)6-11(3,4)5/h8,12H,6-7H2,1-5H3.
What are the key properties of N-[[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine?
N-[[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine has a molecular weight of 211.31 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 63891054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).