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

C8H13N3O — CID 107914870

IUPAC1-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopropan-1-amine
SMILESCc1nnc(CNC2(C)CC2)o1
InChIInChI=1S/C8H13N3O/c1-6-10-11-7(12-6)5-9-8(2)3-4-8/h9H,3-5H2,1-2H3
InChIKeyVMOKZVLKLZJCSP-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.02
Rot. Bonds3

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

1-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopropan-1-amine (PubChem CID 107914870) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopropan-1-amine
PubChem CID107914870
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name1-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopropan-1-amine
SMILESCc1nnc(CNC2(C)CC2)o1
InChIInChI=1S/C8H13N3O/c1-6-10-11-7(12-6)5-9-8(2)3-4-8/h9H,3-5H2,1-2H3
InChIKeyVMOKZVLKLZJCSP-UHFFFAOYSA-N
XLogP1.02
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 ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopropan-1-amine (CID 107914870) is 1-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopropan-1-amine is Cc1nnc(CNC2(C)CC2)o1.
What is the InChIKey of 1-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopropan-1-amine?
The InChIKey is VMOKZVLKLZJCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-6-10-11-7(12-6)5-9-8(2)3-4-8/h9H,3-5H2,1-2H3.
What are the key properties of 1-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopropan-1-amine?
1-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 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 107914870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).