N,N-dimethyl-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanamine

C8H15N3O — CID 172528575

IUPACN,N-dimethyl-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanamine
SMILESCC(C)c1nnc(CN(C)C)o1
InChIInChI=1S/C8H15N3O/c1-6(2)8-10-9-7(12-8)5-11(3)4/h6H,5H2,1-4H3
InChIKeySUJQRYCZGUGRNG-UHFFFAOYSA-N
MW169.23 g/mol
LogP1.25
Rot. Bonds3

About N,N-dimethyl-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanamine

N,N-dimethyl-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanamine (PubChem CID 172528575) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is N,N-dimethyl-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanamine
PubChem CID172528575
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC NameN,N-dimethyl-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanamine
SMILESCC(C)c1nnc(CN(C)C)o1
InChIInChI=1S/C8H15N3O/c1-6(2)8-10-9-7(12-8)5-11(3)4/h6H,5H2,1-4H3
InChIKeySUJQRYCZGUGRNG-UHFFFAOYSA-N
XLogP1.25
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanamine?
The IUPAC name of N,N-dimethyl-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanamine (CID 172528575) is N,N-dimethyl-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanamine is CC(C)c1nnc(CN(C)C)o1.
What is the InChIKey of N,N-dimethyl-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanamine?
The InChIKey is SUJQRYCZGUGRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-6(2)8-10-9-7(12-8)5-11(3)4/h6H,5H2,1-4H3.
What are the key properties of N,N-dimethyl-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanamine?
N,N-dimethyl-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanamine has a molecular weight of 169.23 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanamine is sourced from PubChem (CID 172528575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).