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

C14H25N3O — CID 63892399

IUPAC1-cyclopropyl-2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
SMILESCCNC(Cc1nc(CC(C)(C)C)no1)C1CC1
InChIInChI=1S/C14H25N3O/c1-5-15-11(10-6-7-10)8-13-16-12(17-18-13)9-14(2,3)4/h10-11,15H,5-9H2,1-4H3
InChIKeyUOEZIHSLTBYNGG-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.59
Rot. Bonds6

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

1-cyclopropyl-2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine (PubChem CID 63892399) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-cyclopropyl-2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine.

Molecular Properties

Compound Name1-cyclopropyl-2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
PubChem CID63892399
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name1-cyclopropyl-2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
SMILESCCNC(Cc1nc(CC(C)(C)C)no1)C1CC1
InChIInChI=1S/C14H25N3O/c1-5-15-11(10-6-7-10)8-13-16-12(17-18-13)9-14(2,3)4/h10-11,15H,5-9H2,1-4H3
InChIKeyUOEZIHSLTBYNGG-UHFFFAOYSA-N
XLogP2.59
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
CID 106815738
N-[1-cyclopropyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
CID 63350636
1-cyclopropyl-2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 63892201
1-cyclopropyl-2-[3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
CID 116733585
2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-1-cyclopropyl-N-ethylethanamine
CID 63717824
2-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-cyclopropyl-N-ethylethanamine
CID 63349919
1-cyclopropyl-2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
CID 64535657
2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-1-phenylethanamine
CID 63892213
1-cyclopropyl-N-ethyl-2-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 116809156
1-cyclopropyl-N-ethyl-2-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 63350007
1-cyclopentyl-2-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
CID 116733432
1-cyclopropyl-2-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
CID 107918247

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine?
The IUPAC name of 1-cyclopropyl-2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine (CID 63892399) is 1-cyclopropyl-2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine.
What is the SMILES notation for 1-cyclopropyl-2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine?
The canonical SMILES for 1-cyclopropyl-2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine is CCNC(Cc1nc(CC(C)(C)C)no1)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine?
The InChIKey is UOEZIHSLTBYNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-5-15-11(10-6-7-10)8-13-16-12(17-18-13)9-14(2,3)4/h10-11,15H,5-9H2,1-4H3.
What are the key properties of 1-cyclopropyl-2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine?
1-cyclopropyl-2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine has a molecular weight of 251.37 g/mol, XLogP of 2.59, 6 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]-N-ethylethanamine is sourced from PubChem (CID 63892399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).