[3-[[3-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine

C12H22N4O — CID 120751873

IUPAC[3-[[3-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESCC(C)CC1CCN(Cc2noc(CN)n2)C1
InChIInChI=1S/C12H22N4O/c1-9(2)5-10-3-4-16(7-10)8-11-14-12(6-13)17-15-11/h9-10H,3-8,13H2,1-2H3
InChIKeyFMHGTZNWLNQIQL-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.40
Rot. Bonds5

About [3-[[3-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine

[3-[[3-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 120751873) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is [3-[[3-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-[[3-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID120751873
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name[3-[[3-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESCC(C)CC1CCN(Cc2noc(CN)n2)C1
InChIInChI=1S/C12H22N4O/c1-9(2)5-10-3-4-16(7-10)8-11-14-12(6-13)17-15-11/h9-10H,3-8,13H2,1-2H3
InChIKeyFMHGTZNWLNQIQL-UHFFFAOYSA-N
XLogP1.40
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]methanamine
CID 55030802
[3-[(3-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120750400
[3-[[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine;dihydrochloride
CID 120752753
1-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]ethanol
CID 114218079
N-[[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]methyl]-N-ethylethanamine
CID 120752659
N-[[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine
CID 120753086
N-[[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine;dihydrochloride
CID 120753085
[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]methanamine
CID 62062544
1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N,N-dimethylpiperidin-3-amine;dihydrochloride
CID 120752789
[3-[(2-methylthiomorpholin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 120751752
[3-[[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752876
[3-[(4-cyclopentyloxypiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120751593

Frequently Asked Questions

What is the IUPAC name of [3-[[3-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-[[3-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine (CID 120751873) is [3-[[3-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-[[3-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-[[3-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine is CC(C)CC1CCN(Cc2noc(CN)n2)C1.
What is the InChIKey of [3-[[3-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is FMHGTZNWLNQIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-9(2)5-10-3-4-16(7-10)8-11-14-12(6-13)17-15-11/h9-10H,3-8,13H2,1-2H3.
What are the key properties of [3-[[3-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine?
[3-[[3-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 238.33 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[3-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 120751873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).