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

C10H17N3O — CID 104880039

IUPAC3-[5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESCC1(C)CC1c1nc(CCCN)no1
InChIInChI=1S/C10H17N3O/c1-10(2)6-7(10)9-12-8(13-14-9)4-3-5-11/h7H,3-6,11H2,1-2H3
InChIKeyNZEXZGNFBKTDHP-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.47
Rot. Bonds4

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

3-[5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-1-amine (PubChem CID 104880039) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-[5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
PubChem CID104880039
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3-[5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESCC1(C)CC1c1nc(CCCN)no1
InChIInChI=1S/C10H17N3O/c1-10(2)6-7(10)9-12-8(13-14-9)4-3-5-11/h7H,3-6,11H2,1-2H3
InChIKeyNZEXZGNFBKTDHP-UHFFFAOYSA-N
XLogP1.47
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The IUPAC name of 3-[5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-1-amine (CID 104880039) is 3-[5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The canonical SMILES for 3-[5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-1-amine is CC1(C)CC1c1nc(CCCN)no1.
What is the InChIKey of 3-[5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The InChIKey is NZEXZGNFBKTDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-10(2)6-7(10)9-12-8(13-14-9)4-3-5-11/h7H,3-6,11H2,1-2H3.
What are the key properties of 3-[5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
3-[5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-1-amine has a molecular weight of 195.27 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-1-amine is sourced from PubChem (CID 104880039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).