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

C10H17N3O — CID 106414085

IUPACN-(cyclobutylmethyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESCc1noc(CCNCC2CCC2)n1
InChIInChI=1S/C10H17N3O/c1-8-12-10(14-13-8)5-6-11-7-9-3-2-4-9/h9,11H,2-7H2,1H3
InChIKeyLYQHFWPOOALWKY-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.31
Rot. Bonds5

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

N-(cyclobutylmethyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine (PubChem CID 106414085) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
PubChem CID106414085
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC NameN-(cyclobutylmethyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESCc1noc(CCNCC2CCC2)n1
InChIInChI=1S/C10H17N3O/c1-8-12-10(14-13-8)5-6-11-7-9-3-2-4-9/h9,11H,2-7H2,1H3
InChIKeyLYQHFWPOOALWKY-UHFFFAOYSA-N
XLogP1.31
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.31
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

1-(cyclobutylmethyl)-2-methyl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]guanidine
CID 119151403
2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 106416534
2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]ethanol
CID 106416605
trans-(1R,2R)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]cyclopentan-1-ol
CID 106416752
2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 106416995
methyl 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]acetate
CID 106417020
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(oxolan-2-yl)propan-1-amine
CID 104871455
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol
CID 106416371
5-(2-cyclopropylethyl)-3-methyl-1,2,4-oxadiazole
CID 131086308
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiohydroxylamine
CID 155439756
2,2-dimethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine
CID 106414051
2-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]prop-2-en-1-amine
CID 106417246

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine?
The IUPAC name of N-(cyclobutylmethyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine (CID 106414085) is N-(cyclobutylmethyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine.
What is the SMILES notation for N-(cyclobutylmethyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine?
The canonical SMILES for N-(cyclobutylmethyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine is Cc1noc(CCNCC2CCC2)n1.
What is the InChIKey of N-(cyclobutylmethyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine?
The InChIKey is LYQHFWPOOALWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-8-12-10(14-13-8)5-6-11-7-9-3-2-4-9/h9,11H,2-7H2,1H3.
What are the key properties of N-(cyclobutylmethyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine?
N-(cyclobutylmethyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine has a molecular weight of 195.27 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine is sourced from PubChem (CID 106414085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).