N-methyl-2-[5-(3-methylbutyl)-1,3,4-oxadiazol-2-yl]ethanamine

C10H19N3O — CID 62164813

IUPACN-methyl-2-[5-(3-methylbutyl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCNCCc1nnc(CCC(C)C)o1
InChIInChI=1S/C10H19N3O/c1-8(2)4-5-9-12-13-10(14-9)6-7-11-3/h8,11H,4-7H2,1-3H3
InChIKeyLFCHDRJLVNAYGU-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.42
Rot. Bonds6

About N-methyl-2-[5-(3-methylbutyl)-1,3,4-oxadiazol-2-yl]ethanamine

N-methyl-2-[5-(3-methylbutyl)-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 62164813) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is N-methyl-2-[5-(3-methylbutyl)-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[5-(3-methylbutyl)-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID62164813
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC NameN-methyl-2-[5-(3-methylbutyl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCNCCc1nnc(CCC(C)C)o1
InChIInChI=1S/C10H19N3O/c1-8(2)4-5-9-12-13-10(14-9)6-7-11-3/h8,11H,4-7H2,1-3H3
InChIKeyLFCHDRJLVNAYGU-UHFFFAOYSA-N
XLogP1.42
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-2-[5-(3-methylbutyl)-1,3,4-oxadiazol-2-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[5-(3-methylbutyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The IUPAC name of N-methyl-2-[5-(3-methylbutyl)-1,3,4-oxadiazol-2-yl]ethanamine (CID 62164813) is N-methyl-2-[5-(3-methylbutyl)-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[5-(3-methylbutyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for N-methyl-2-[5-(3-methylbutyl)-1,3,4-oxadiazol-2-yl]ethanamine is CNCCc1nnc(CCC(C)C)o1.
What is the InChIKey of N-methyl-2-[5-(3-methylbutyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is LFCHDRJLVNAYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-8(2)4-5-9-12-13-10(14-9)6-7-11-3/h8,11H,4-7H2,1-3H3.
What are the key properties of N-methyl-2-[5-(3-methylbutyl)-1,3,4-oxadiazol-2-yl]ethanamine?
N-methyl-2-[5-(3-methylbutyl)-1,3,4-oxadiazol-2-yl]ethanamine has a molecular weight of 197.28 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[5-(3-methylbutyl)-1,3,4-oxadiazol-2-yl]ethanamine is sourced from PubChem (CID 62164813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).