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

C6H11N3O — CID 14742604

IUPACN,N-dimethyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine
SMILESCc1noc(CN(C)C)n1
InChIInChI=1S/C6H11N3O/c1-5-7-6(10-8-5)4-9(2)3/h4H2,1-3H3
InChIKeyIFHZEOLWCRBOGK-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.44
Rot. Bonds2

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

N,N-dimethyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine (PubChem CID 14742604) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is N,N-dimethyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine
PubChem CID14742604
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC NameN,N-dimethyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine
SMILESCc1noc(CN(C)C)n1
InChIInChI=1S/C6H11N3O/c1-5-7-6(10-8-5)4-9(2)3/h4H2,1-3H3
InChIKeyIFHZEOLWCRBOGK-UHFFFAOYSA-N
XLogP0.44
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.44
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-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine?
The IUPAC name of N,N-dimethyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine (CID 14742604) is N,N-dimethyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine is Cc1noc(CN(C)C)n1.
What is the InChIKey of N,N-dimethyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine?
The InChIKey is IFHZEOLWCRBOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-5-7-6(10-8-5)4-9(2)3/h4H2,1-3H3.
What are the key properties of N,N-dimethyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine?
N,N-dimethyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine has a molecular weight of 141.17 g/mol, XLogP of 0.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine is sourced from PubChem (CID 14742604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).