2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopropan-1-amine

C8H13N3O — CID 107914602

IUPAC2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopropan-1-amine
SMILESCc1nnc(CNC2CC2C)o1
InChIInChI=1S/C8H13N3O/c1-5-3-7(5)9-4-8-11-10-6(2)12-8/h5,7,9H,3-4H2,1-2H3
InChIKeyNHAMRJPUWJAVCV-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.88
Rot. Bonds3

About 2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopropan-1-amine

2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopropan-1-amine (PubChem CID 107914602) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopropan-1-amine
PubChem CID107914602
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopropan-1-amine
SMILESCc1nnc(CNC2CC2C)o1
InChIInChI=1S/C8H13N3O/c1-5-3-7(5)9-4-8-11-10-6(2)12-8/h5,7,9H,3-4H2,1-2H3
InChIKeyNHAMRJPUWJAVCV-UHFFFAOYSA-N
XLogP0.88
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopropan-1-amine?
The IUPAC name of 2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopropan-1-amine (CID 107914602) is 2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopropan-1-amine?
The canonical SMILES for 2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopropan-1-amine is Cc1nnc(CNC2CC2C)o1.
What is the InChIKey of 2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopropan-1-amine?
The InChIKey is NHAMRJPUWJAVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-5-3-7(5)9-4-8-11-10-6(2)12-8/h5,7,9H,3-4H2,1-2H3.
What are the key properties of 2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopropan-1-amine?
2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopropan-1-amine has a molecular weight of 167.21 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 107914602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).