2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentan-1-amine

C10H19N3O — CID 106396000

IUPAC2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentan-1-amine
SMILESCCCC(C)CNCCc1ncon1
InChIInChI=1S/C10H19N3O/c1-3-4-9(2)7-11-6-5-10-12-8-14-13-10/h8-9,11H,3-7H2,1-2H3
InChIKeyRYCJTCZIAPAUBF-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.64
Rot. Bonds7

About 2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentan-1-amine

2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentan-1-amine (PubChem CID 106396000) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentan-1-amine
PubChem CID106396000
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentan-1-amine
SMILESCCCC(C)CNCCc1ncon1
InChIInChI=1S/C10H19N3O/c1-3-4-9(2)7-11-6-5-10-12-8-14-13-10/h8-9,11H,3-7H2,1-2H3
InChIKeyRYCJTCZIAPAUBF-UHFFFAOYSA-N
XLogP1.64
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine
CID 106395964
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine
CID 106395589
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]dodecan-1-amine
CID 106400725
N-(2-ethoxyethyl)-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106401056
2-methyl-N-(2-pyridin-4-ylethyl)pentan-1-amine
CID 60902535
3-ethylsulfanyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine
CID 106396818
1-(4-methoxyphenyl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]ethanol
CID 106400913
N-methyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-N-propan-2-ylacetamide
CID 106400868
1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-propylurea
CID 106395850
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]but-3-yn-2-amine
CID 106400759
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]but-3-en-2-amine
CID 106400522
N-[2-(5-bromothiophen-2-yl)ethyl]-2-methylpentan-1-amine
CID 106043149

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentan-1-amine?
The IUPAC name of 2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentan-1-amine (CID 106396000) is 2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentan-1-amine.
What is the SMILES notation for 2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentan-1-amine?
The canonical SMILES for 2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentan-1-amine is CCCC(C)CNCCc1ncon1.
What is the InChIKey of 2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentan-1-amine?
The InChIKey is RYCJTCZIAPAUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-3-4-9(2)7-11-6-5-10-12-8-14-13-10/h8-9,11H,3-7H2,1-2H3.
What are the key properties of 2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentan-1-amine?
2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentan-1-amine has a molecular weight of 197.28 g/mol, XLogP of 1.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentan-1-amine is sourced from PubChem (CID 106396000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).