2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine

C8H15N3O — CID 82238035

IUPAC2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
SMILESCC(C)(C)NCCc1ncno1
InChIInChI=1S/C8H15N3O/c1-8(2,3)10-5-4-7-9-6-11-12-7/h6,10H,4-5H2,1-3H3
InChIKeyKRMUXXIFYXEISF-UHFFFAOYSA-N
MW169.23 g/mol
LogP1.00
Rot. Bonds3

About 2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine

2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine (PubChem CID 82238035) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
PubChem CID82238035
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
SMILESCC(C)(C)NCCc1ncno1
InChIInChI=1S/C8H15N3O/c1-8(2,3)10-5-4-7-9-6-11-12-7/h6,10H,4-5H2,1-3H3
InChIKeyKRMUXXIFYXEISF-UHFFFAOYSA-N
XLogP1.00
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,2,4-Oxadiazol-5-yl)ethan-1-amine hydrochloride
CID 71755598
2-(1,2,4-Oxadiazol-5-yl)ethan-1-amine
CID 28924762
2,2,2-trifluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 103744050
1,1-difluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
CID 106394517
6,6,6-trifluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]hexan-2-amine
CID 106395177
2-amino-3,3,3-trifluoro-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 106397241
N-(2-fluoroethyl)-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 106399628
3-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine
CID 106399666
2,2,2-trifluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine
CID 106399702
4,4,4-trifluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine
CID 106399868
2,2-difluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine
CID 106399946
3,3,3-trifluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine
CID 106400034

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine (CID 82238035) is 2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine is CC(C)(C)NCCc1ncno1.
What is the InChIKey of 2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine?
The InChIKey is KRMUXXIFYXEISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-8(2,3)10-5-4-7-9-6-11-12-7/h6,10H,4-5H2,1-3H3.
What are the key properties of 2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine?
2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine has a molecular weight of 169.23 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine is sourced from PubChem (CID 82238035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).