N-ethyl-3-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-amine

C10H19N3O — CID 88977428

IUPACN-ethyl-3-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-amine
SMILESCCNC(CC(C)C)c1nc(C)no1
InChIInChI=1S/C10H19N3O/c1-5-11-9(6-7(2)3)10-12-8(4)13-14-10/h7,9,11H,5-6H2,1-4H3
InChIKeyZXDJQLGUBKYVLA-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.07
Rot. Bonds5

About N-ethyl-3-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-amine

N-ethyl-3-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-amine (PubChem CID 88977428) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is N-ethyl-3-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-amine
PubChem CID88977428
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC NameN-ethyl-3-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-amine
SMILESCCNC(CC(C)C)c1nc(C)no1
InChIInChI=1S/C10H19N3O/c1-5-11-9(6-7(2)3)10-12-8(4)13-14-10/h7,9,11H,5-6H2,1-4H3
InChIKeyZXDJQLGUBKYVLA-UHFFFAOYSA-N
XLogP2.07
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-amine?
The IUPAC name of N-ethyl-3-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-amine (CID 88977428) is N-ethyl-3-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-amine.
What is the SMILES notation for N-ethyl-3-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-amine?
The canonical SMILES for N-ethyl-3-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-amine is CCNC(CC(C)C)c1nc(C)no1.
What is the InChIKey of N-ethyl-3-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-amine?
The InChIKey is ZXDJQLGUBKYVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-5-11-9(6-7(2)3)10-12-8(4)13-14-10/h7,9,11H,5-6H2,1-4H3.
What are the key properties of N-ethyl-3-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-amine?
N-ethyl-3-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-amine has a molecular weight of 197.28 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-amine is sourced from PubChem (CID 88977428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).