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

C8H15N3O — CID 58623537

IUPACN,N-dimethyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine
SMILESCC(C)c1nc(CN(C)C)no1
InChIInChI=1S/C8H15N3O/c1-6(2)8-9-7(10-12-8)5-11(3)4/h6H,5H2,1-4H3
InChIKeyOCOULWBUYCSRRP-UHFFFAOYSA-N
MW169.23 g/mol
LogP1.25
Rot. Bonds3

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

N,N-dimethyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine (PubChem CID 58623537) 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-1,2,4-oxadiazol-3-yl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine
PubChem CID58623537
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC NameN,N-dimethyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine
SMILESCC(C)c1nc(CN(C)C)no1
InChIInChI=1S/C8H15N3O/c1-6(2)8-9-7(10-12-8)5-11(3)4/h6H,5H2,1-4H3
InChIKeyOCOULWBUYCSRRP-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-1,2,4-oxadiazol-3-yl)methanamine?
The IUPAC name of N,N-dimethyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine (CID 58623537) is N,N-dimethyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine is CC(C)c1nc(CN(C)C)no1.
What is the InChIKey of N,N-dimethyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine?
The InChIKey is OCOULWBUYCSRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-6(2)8-9-7(10-12-8)5-11(3)4/h6H,5H2,1-4H3.
What are the key properties of N,N-dimethyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine?
N,N-dimethyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-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-1,2,4-oxadiazol-3-yl)methanamine is sourced from PubChem (CID 58623537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).