3-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine

C13H23N3O — CID 114016428

IUPAC3-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
SMILESCCC(c1nc(C2CC2(C)C)no1)C(C)NC
InChIInChI=1S/C13H23N3O/c1-6-9(8(2)14-5)12-15-11(16-17-12)10-7-13(10,3)4/h8-10,14H,6-7H2,1-5H3
InChIKeyOVDAPMCXLHSWNX-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.68
Rot. Bonds5

About 3-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine

3-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine (PubChem CID 114016428) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine.

Molecular Properties

Compound Name3-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
PubChem CID114016428
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name3-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
SMILESCCC(c1nc(C2CC2(C)C)no1)C(C)NC
InChIInChI=1S/C13H23N3O/c1-6-9(8(2)14-5)12-15-11(16-17-12)10-7-13(10,3)4/h8-10,14H,6-7H2,1-5H3
InChIKeyOVDAPMCXLHSWNX-UHFFFAOYSA-N
XLogP2.68
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine
CID 107924605
2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-3-amine
CID 107924584
N-methyl-3-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 115998544
(1S)-1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104880761
(1S)-1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 107925138
3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
CID 79667234
N-methyl-3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 79085496
1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 107924492
3-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
CID 116733062
N-methyl-3-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 65197557
3-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
CID 116781451
1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 104880772

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine?
The IUPAC name of 3-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine (CID 114016428) is 3-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine.
What is the SMILES notation for 3-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine?
The canonical SMILES for 3-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine is CCC(c1nc(C2CC2(C)C)no1)C(C)NC.
What is the InChIKey of 3-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine?
The InChIKey is OVDAPMCXLHSWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-6-9(8(2)14-5)12-15-11(16-17-12)10-7-13(10,3)4/h8-10,14H,6-7H2,1-5H3.
What are the key properties of 3-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine?
3-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine has a molecular weight of 237.35 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine is sourced from PubChem (CID 114016428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).