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

C13H23N3O — CID 107924584

IUPAC2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-3-amine
SMILESCCC(NC)C(C)c1nc(C2CC2(C)C)no1
InChIInChI=1S/C13H23N3O/c1-6-10(14-5)8(2)12-15-11(16-17-12)9-7-13(9,3)4/h8-10,14H,6-7H2,1-5H3
InChIKeyANQBJGDGKLSXBE-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.68
Rot. Bonds5

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

2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-3-amine (PubChem CID 107924584) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-3-amine.

Molecular Properties

Compound Name2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-3-amine
PubChem CID107924584
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-3-amine
SMILESCCC(NC)C(C)c1nc(C2CC2(C)C)no1
InChIInChI=1S/C13H23N3O/c1-6-10(14-5)8(2)12-15-11(16-17-12)9-7-13(9,3)4/h8-10,14H,6-7H2,1-5H3
InChIKeyANQBJGDGKLSXBE-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

2-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-methylpentan-3-amine
CID 64985592
3-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
CID 114016428
N-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 65334208
3-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine
CID 107924605
(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
1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 107924492
N-methyl-2-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 106446088
2-(3-butyl-1,2,4-oxadiazol-5-yl)-N-methylpentan-3-amine
CID 79412396
2-[3-(3,3-dimethylbutyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-3-amine
CID 114212156
2-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-3-amine
CID 116781348
2-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-3-amine
CID 116781227

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-3-amine?
The IUPAC name of 2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-3-amine (CID 107924584) is 2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-3-amine.
What is the SMILES notation for 2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-3-amine?
The canonical SMILES for 2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-3-amine is CCC(NC)C(C)c1nc(C2CC2(C)C)no1.
What is the InChIKey of 2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-3-amine?
The InChIKey is ANQBJGDGKLSXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-6-10(14-5)8(2)12-15-11(16-17-12)9-7-13(9,3)4/h8-10,14H,6-7H2,1-5H3.
What are the key properties of 2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-3-amine?
2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-3-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 2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-3-amine is sourced from PubChem (CID 107924584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).