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

C12H21N3O — CID 63892201

IUPAC1-cyclopropyl-2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCC(C)(C)Cc1noc(CC(N)C2CC2)n1
InChIInChI=1S/C12H21N3O/c1-12(2,3)7-10-14-11(16-15-10)6-9(13)8-4-5-8/h8-9H,4-7,13H2,1-3H3
InChIKeyKASFCHKIDVCWMB-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.94
Rot. Bonds4

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

1-cyclopropyl-2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 63892201) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-cyclopropyl-2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID63892201
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-cyclopropyl-2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCC(C)(C)Cc1noc(CC(N)C2CC2)n1
InChIInChI=1S/C12H21N3O/c1-12(2,3)7-10-14-11(16-15-10)6-9(13)8-4-5-8/h8-9H,4-7,13H2,1-3H3
InChIKeyKASFCHKIDVCWMB-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
CID 63892399
1-cyclopropyl-2-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 63352306
2-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-cyclopropylethanamine
CID 63347141
1-cyclopropyl-2-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 116704058
1-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N,3,3-trimethylbutan-2-amine
CID 63892002
1-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine
CID 64671674
1-cyclopropyl-2-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 115415957
1-cyclopropyl-2-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 65401397
5-(2-amino-2-cyclopropylethyl)-N,N-diethyl-1,2,4-oxadiazol-3-amine
CID 116806228
(2S)-2-[[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylpentan-1-amine
CID 104916121
1-cyclopropyl-2-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 64560082
5-(2-amino-2-cyclopropylethyl)-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 102790561

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of 1-cyclopropyl-2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 63892201) is 1-cyclopropyl-2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for 1-cyclopropyl-2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for 1-cyclopropyl-2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]ethanamine is CC(C)(C)Cc1noc(CC(N)C2CC2)n1.
What is the InChIKey of 1-cyclopropyl-2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is KASFCHKIDVCWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-12(2,3)7-10-14-11(16-15-10)6-9(13)8-4-5-8/h8-9H,4-7,13H2,1-3H3.
What are the key properties of 1-cyclopropyl-2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]ethanamine?
1-cyclopropyl-2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 223.32 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 63892201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).