1-cyclopropyl-1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine

C12H19N3O — CID 107925091

IUPAC1-cyclopropyl-1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCC1(C)CC1c1noc(C(C)(N)C2CC2)n1
InChIInChI=1S/C12H19N3O/c1-11(2)6-8(11)9-14-10(16-15-9)12(3,13)7-4-5-7/h7-8H,4-6,13H2,1-3H3
InChIKeyDMSBCBJHJOIISL-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.17
Rot. Bonds3

About 1-cyclopropyl-1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine

1-cyclopropyl-1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 107925091) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-cyclopropyl-1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID107925091
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-cyclopropyl-1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCC1(C)CC1c1noc(C(C)(N)C2CC2)n1
InChIInChI=1S/C12H19N3O/c1-11(2)6-8(11)9-14-10(16-15-9)12(3,13)7-4-5-7/h7-8H,4-6,13H2,1-3H3
InChIKeyDMSBCBJHJOIISL-UHFFFAOYSA-N
XLogP2.17
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 104880819
2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 107925090
2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-2-ethylbutan-1-amine
CID 107925071
1-cyclopropyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 64667684
1-cyclopropyl-1-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 64667286
5-(1-amino-1-cyclopropylethyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 112632024
1-cyclopropyl-1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 64669476
1-cyclopropyl-1-[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 64667686
1-cyclopropyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 64667280
1-cyclopropyl-1-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 116741417
5-(1-amino-1-cyclopropylethyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 102791358
3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-2,3-dimethylbutan-2-amine
CID 65261284

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of 1-cyclopropyl-1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 107925091) is 1-cyclopropyl-1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for 1-cyclopropyl-1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for 1-cyclopropyl-1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine is CC1(C)CC1c1noc(C(C)(N)C2CC2)n1.
What is the InChIKey of 1-cyclopropyl-1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is DMSBCBJHJOIISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-11(2)6-8(11)9-14-10(16-15-9)12(3,13)7-4-5-7/h7-8H,4-6,13H2,1-3H3.
What are the key properties of 1-cyclopropyl-1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine?
1-cyclopropyl-1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 221.30 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 107925091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).