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

C8H17N3O — CID 145130638

IUPACN,N-dimethyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine;ethane
SMILESCC.Cc1nnc(CN(C)C)o1
InChIInChI=1S/C6H11N3O.C2H6/c1-5-7-8-6(10-5)4-9(2)3;1-2/h4H2,1-3H3;1-2H3
InChIKeyPIEJDVLQYYYMJV-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.47
Rot. Bonds2

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

N,N-dimethyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine;ethane (PubChem CID 145130638) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is N,N-dimethyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine;ethane.

Molecular Properties

Compound NameN,N-dimethyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine;ethane
PubChem CID145130638
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC NameN,N-dimethyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine;ethane
SMILESCC.Cc1nnc(CN(C)C)o1
InChIInChI=1S/C6H11N3O.C2H6/c1-5-7-8-6(10-5)4-9(2)3;1-2/h4H2,1-3H3;1-2H3
InChIKeyPIEJDVLQYYYMJV-UHFFFAOYSA-N
XLogP1.47
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.47
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-methyl-1,3,4-oxadiazol-2-yl)methanamine;ethane?
The IUPAC name of N,N-dimethyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine;ethane (CID 145130638) is N,N-dimethyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine;ethane.
What is the SMILES notation for N,N-dimethyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine;ethane?
The canonical SMILES for N,N-dimethyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine;ethane is CC.Cc1nnc(CN(C)C)o1.
What is the InChIKey of N,N-dimethyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine;ethane?
The InChIKey is PIEJDVLQYYYMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O.C2H6/c1-5-7-8-6(10-5)4-9(2)3;1-2/h4H2,1-3H3;1-2H3.
What are the key properties of N,N-dimethyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine;ethane?
N,N-dimethyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine;ethane has a molecular weight of 171.24 g/mol, XLogP of 1.47, 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-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine;ethane is sourced from PubChem (CID 145130638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).