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

C12H21N3O — CID 66478395

IUPAC3-[5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESCC1(C)C(c2nc(CCCN)no2)C1(C)C
InChIInChI=1S/C12H21N3O/c1-11(2)9(12(11,3)4)10-14-8(15-16-10)6-5-7-13/h9H,5-7,13H2,1-4H3
InChIKeyZVPBLOJCIYVOTI-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.11
Rot. Bonds4

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

3-[5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-1-amine (PubChem CID 66478395) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-[5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
PubChem CID66478395
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name3-[5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESCC1(C)C(c2nc(CCCN)no2)C1(C)C
InChIInChI=1S/C12H21N3O/c1-11(2)9(12(11,3)4)10-14-8(15-16-10)6-5-7-13/h9H,5-7,13H2,1-4H3
InChIKeyZVPBLOJCIYVOTI-UHFFFAOYSA-N
XLogP2.11
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 104880039
3-(bromomethyl)-5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazole
CID 130536071
3-[5-(thian-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 115077211
N-[[5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
CID 66478393
3-[5-(2-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 79763177
3-[5-(3,5-dimethyl-1-adamantyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 79999740
4-(5-methyl-1,2,4-oxadiazol-3-yl)butan-1-amine
CID 83872807
3-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 104632648
3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 62667403
2-[3-(3-aminopropyl)-1,2,4-oxadiazol-5-yl]guanidine
CID 150396229
3-(5-undecyl-1,2,4-oxadiazol-3-yl)propan-1-amine
CID 65428333
2-propan-2-yloxy-1-[5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104634539

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The IUPAC name of 3-[5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-1-amine (CID 66478395) is 3-[5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The canonical SMILES for 3-[5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-1-amine is CC1(C)C(c2nc(CCCN)no2)C1(C)C.
What is the InChIKey of 3-[5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The InChIKey is ZVPBLOJCIYVOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-11(2)9(12(11,3)4)10-14-8(15-16-10)6-5-7-13/h9H,5-7,13H2,1-4H3.
What are the key properties of 3-[5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
3-[5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-1-amine is sourced from PubChem (CID 66478395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).