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

C11H19N3O2 — CID 106400999

IUPACN-[(5,5-dimethyloxolan-2-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
SMILESCC1(C)CCC(CNCCc2ncon2)O1
InChIInChI=1S/C11H19N3O2/c1-11(2)5-3-9(16-11)7-12-6-4-10-13-8-15-14-10/h8-9,12H,3-7H2,1-2H3
InChIKeyUKWKFIBMGVWDQH-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.16
Rot. Bonds5

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

N-[(5,5-dimethyloxolan-2-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine (PubChem CID 106400999) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-[(5,5-dimethyloxolan-2-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(5,5-dimethyloxolan-2-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
PubChem CID106400999
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC NameN-[(5,5-dimethyloxolan-2-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
SMILESCC1(C)CCC(CNCCc2ncon2)O1
InChIInChI=1S/C11H19N3O2/c1-11(2)5-3-9(16-11)7-12-6-4-10-13-8-15-14-10/h8-9,12H,3-7H2,1-2H3
InChIKeyUKWKFIBMGVWDQH-UHFFFAOYSA-N
XLogP1.16
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 80166364
N-methyl-2-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 80167095
N-(1,2,4-oxadiazol-3-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 106392973
2,2,5,5-tetramethyl-N-(1,2,4-oxadiazol-3-ylmethyl)oxolan-3-amine
CID 106393421
1-(5-methyloxolan-2-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 106393457
2-methoxy-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine
CID 106395406
2-(1,2,4-oxadiazol-3-yl)-N-(oxolan-2-ylmethyl)ethanamine
CID 106395923
2-(1,2,4-oxadiazol-3-yl)-N-(oxan-3-ylmethyl)ethanamine
CID 106396022
2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]oxolan-3-amine
CID 106396121
5-methoxy-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentane-1,4-diamine
CID 106396139
N-[(5-methyloxolan-2-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106396299
1-(5,5-dimethyloxolan-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
CID 106398411

Frequently Asked Questions

What is the IUPAC name of N-[(5,5-dimethyloxolan-2-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine?
The IUPAC name of N-[(5,5-dimethyloxolan-2-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine (CID 106400999) is N-[(5,5-dimethyloxolan-2-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine.
What is the SMILES notation for N-[(5,5-dimethyloxolan-2-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine?
The canonical SMILES for N-[(5,5-dimethyloxolan-2-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine is CC1(C)CCC(CNCCc2ncon2)O1.
What is the InChIKey of N-[(5,5-dimethyloxolan-2-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine?
The InChIKey is UKWKFIBMGVWDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-11(2)5-3-9(16-11)7-12-6-4-10-13-8-15-14-10/h8-9,12H,3-7H2,1-2H3.
What are the key properties of N-[(5,5-dimethyloxolan-2-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine?
N-[(5,5-dimethyloxolan-2-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine has a molecular weight of 225.29 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,5-dimethyloxolan-2-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine is sourced from PubChem (CID 106400999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).