2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propan-2-amine

C7H13N3O — CID 121367772

IUPAC2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propan-2-amine
SMILESCC(C)(C)NCc1ncon1
InChIInChI=1S/C7H13N3O/c1-7(2,3)9-4-6-8-5-11-10-6/h5,9H,4H2,1-3H3
InChIKeyZXFQVOMKQDFQPY-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.96
Rot. Bonds2

About 2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propan-2-amine

2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propan-2-amine (PubChem CID 121367772) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propan-2-amine
PubChem CID121367772
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propan-2-amine
SMILESCC(C)(C)NCc1ncon1
InChIInChI=1S/C7H13N3O/c1-7(2,3)9-4-6-8-5-11-10-6/h5,9H,4H2,1-3H3
InChIKeyZXFQVOMKQDFQPY-UHFFFAOYSA-N
XLogP0.96
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,2,4-Oxadiazol-3-yl)propan-2-amine hydrochloride
CID 86674755
N-methyl-1-(1,2,4-oxadiazol-3-yl)methanamine
CID 33728341
1-(1,2,4-Oxadiazol-3-yl)ethan-1-amine hydrochloride
CID 71757666
Methyl[(1,2,4-oxadiazol-3-yl)methyl]amine hydrochloride
CID 71758163
2-Methyl-1-(1,2,4-oxadiazol-3-yl)propan-1-amine hydrochloride
CID 86776898
2-(1,2,4-Oxadiazol-3-yl)propan-1-amine hydrochloride
CID 132300760
3-(Azetidin-2-yl)-1,2,4-oxadiazole hydrochloride
CID 136574826
2-Methyl-1-(1,2,4-oxadiazol-3-yl)propan-1-amine
CID 61317701
(1,2,4-Oxadiazol-3-yl)methanamine
CID 18939038
1-(1,2,4-Oxadiazol-3-yl)ethan-1-amine
CID 22169805
2-(1,2,4-Oxadiazol-3-yl)propan-2-amine
CID 43559118
3-(Pyrrolidin-2-yl)-1,2,4-oxadiazole
CID 62390074

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propan-2-amine?
The IUPAC name of 2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propan-2-amine (CID 121367772) is 2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propan-2-amine.
What is the SMILES notation for 2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propan-2-amine?
The canonical SMILES for 2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propan-2-amine is CC(C)(C)NCc1ncon1.
What is the InChIKey of 2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propan-2-amine?
The InChIKey is ZXFQVOMKQDFQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-7(2,3)9-4-6-8-5-11-10-6/h5,9H,4H2,1-3H3.
What are the key properties of 2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propan-2-amine?
2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propan-2-amine has a molecular weight of 155.20 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propan-2-amine is sourced from PubChem (CID 121367772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).