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

C9H16N4O — CID 106660047

IUPACN-methyl-1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]methanamine
SMILESCNCC1CCN(c2nc(C)no2)C1
InChIInChI=1S/C9H16N4O/c1-7-11-9(14-12-7)13-4-3-8(6-13)5-10-2/h8,10H,3-6H2,1-2H3
InChIKeyWBQKCVNSYZQLKD-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.42
Rot. Bonds3

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

N-methyl-1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]methanamine (PubChem CID 106660047) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is N-methyl-1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]methanamine
PubChem CID106660047
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC NameN-methyl-1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]methanamine
SMILESCNCC1CCN(c2nc(C)no2)C1
InChIInChI=1S/C9H16N4O/c1-7-11-9(14-12-7)13-4-3-8(6-13)5-10-2/h8,10H,3-6H2,1-2H3
InChIKeyWBQKCVNSYZQLKD-UHFFFAOYSA-N
XLogP0.42
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(2,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 63267845
N-methyl-1-[1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]methanamine
CID 113491546
N-methyl-1-[(3R)-1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]methanamine
CID 169170213
2-methyl-4-[3-(methylaminomethyl)pyrrolidin-1-yl]pyrimidine-5-carbonitrile
CID 112755977
N-methyl-1-[(3R)-1-phenylpyrrolidin-3-yl]methanamine
CID 42258344
N-methyl-1-[1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]methanamine;hydrochloride
CID 154907905
1-[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 63873022
1-[1-(5-iodopyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 116648585
1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-methylmethanamine
CID 62593348
N-methyl-1-[1-(2,4,5-trifluorophenyl)pyrrolidin-3-yl]methanamine
CID 62816102
1-[1-(4-ethylpyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 156651528
N-methyl-1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methanamine
CID 61205541

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]methanamine (CID 106660047) is N-methyl-1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]methanamine is CNCC1CCN(c2nc(C)no2)C1.
What is the InChIKey of N-methyl-1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]methanamine?
The InChIKey is WBQKCVNSYZQLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-7-11-9(14-12-7)13-4-3-8(6-13)5-10-2/h8,10H,3-6H2,1-2H3.
What are the key properties of N-methyl-1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]methanamine?
N-methyl-1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]methanamine has a molecular weight of 196.25 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 106660047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).