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

C12H22N4O — CID 106418281

IUPACN-[[1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCN(CCc2nc(C)no2)C1
InChIInChI=1S/C12H22N4O/c1-3-13-8-11-4-6-16(9-11)7-5-12-14-10(2)15-17-12/h11,13H,3-9H2,1-2H3
InChIKeyWJNHGOVVGZAEGZ-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.85
Rot. Bonds6

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

N-[[1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-yl]methyl]ethanamine (PubChem CID 106418281) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N-[[1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-yl]methyl]ethanamine
PubChem CID106418281
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN-[[1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCN(CCc2nc(C)no2)C1
InChIInChI=1S/C12H22N4O/c1-3-13-8-11-4-6-16(9-11)7-5-12-14-10(2)15-17-12/h11,13H,3-9H2,1-2H3
InChIKeyWJNHGOVVGZAEGZ-UHFFFAOYSA-N
XLogP0.85
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-3-yl]methyl]ethanamine
CID 106418274
N-ethyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine
CID 114186320
N-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine
CID 55081783
N-ethyl-3-methyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine
CID 106418244
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-amine
CID 106421375
5-propyl-N-[[(3R)-1-propylpyrrolidin-3-yl]methyl]-1,2,4-oxadiazol-3-amine
CID 125444437
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea
CID 138042011
N-[[1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-3-yl]methyl]cyclopropanamine
CID 106418270
N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119927948
N-(cyclobutylmethyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 106414085
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-propylazepan-4-amine
CID 106414436
N-[[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]methyl]ethanamine
CID 63227216

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-yl]methyl]ethanamine (CID 106418281) is N-[[1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-yl]methyl]ethanamine is CCNCC1CCN(CCc2nc(C)no2)C1.
What is the InChIKey of N-[[1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-yl]methyl]ethanamine?
The InChIKey is WJNHGOVVGZAEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-3-13-8-11-4-6-16(9-11)7-5-12-14-10(2)15-17-12/h11,13H,3-9H2,1-2H3.
What are the key properties of N-[[1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-yl]methyl]ethanamine?
N-[[1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-yl]methyl]ethanamine has a molecular weight of 238.33 g/mol, XLogP of 0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-yl]methyl]ethanamine is sourced from PubChem (CID 106418281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).