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

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Related Compounds

2-bromo-5-(3-methylbutyl)-1,3,4-oxadiazole
CID 114771093
2-(5-heptyl-1,3,4-oxadiazol-2-yl)-N-methylethanamine
CID 62162723
N-ethyl-2-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62164313
2-[5-(cyclobutylmethyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 103166389
N-methyl-2-[5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 104632959
2-[5-[(3,4-dichlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 63047021
2-[5-[(3-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 55083746
N-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-amine
CID 62139451
2-[5-(2,6-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 114026388
N-methyl-2-[5-(4-methylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 65198819
2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 55044345
2-[5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 62162897

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).