N,N-diethyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine

C9H17N3O — CID 90327691

IUPACN,N-diethyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESCCN(CC)C(C)c1nc(C)no1
InChIInChI=1S/C9H17N3O/c1-5-12(6-2)7(3)9-10-8(4)11-13-9/h7H,5-6H2,1-4H3
InChIKeyYCTQOPQRWPCBFV-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.78
Rot. Bonds4

About N,N-diethyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine

N,N-diethyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine (PubChem CID 90327691) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is N,N-diethyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN,N-diethyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
PubChem CID90327691
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC NameN,N-diethyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESCCN(CC)C(C)c1nc(C)no1
InChIInChI=1S/C9H17N3O/c1-5-12(6-2)7(3)9-10-8(4)11-13-9/h7H,5-6H2,1-4H3
InChIKeyYCTQOPQRWPCBFV-UHFFFAOYSA-N
XLogP1.78
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine?
The IUPAC name of N,N-diethyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine (CID 90327691) is N,N-diethyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine.
What is the SMILES notation for N,N-diethyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine?
The canonical SMILES for N,N-diethyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine is CCN(CC)C(C)c1nc(C)no1.
What is the InChIKey of N,N-diethyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine?
The InChIKey is YCTQOPQRWPCBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-5-12(6-2)7(3)9-10-8(4)11-13-9/h7H,5-6H2,1-4H3.
What are the key properties of N,N-diethyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine?
N,N-diethyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine has a molecular weight of 183.25 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine is sourced from PubChem (CID 90327691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).