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

C12H22N4O — CID 55081783

IUPACN-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine
SMILESCCCNCC1CCN(Cc2nc(C)no2)C1
InChIInChI=1S/C12H22N4O/c1-3-5-13-7-11-4-6-16(8-11)9-12-14-10(2)15-17-12/h11,13H,3-9H2,1-2H3
InChIKeyBZRGKHUBIUZMAK-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.20
Rot. Bonds6

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

N-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine (PubChem CID 55081783) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine
PubChem CID55081783
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine
SMILESCCCNCC1CCN(Cc2nc(C)no2)C1
InChIInChI=1S/C12H22N4O/c1-3-5-13-7-11-4-6-16(8-11)9-12-14-10(2)15-17-12/h11,13H,3-9H2,1-2H3
InChIKeyBZRGKHUBIUZMAK-UHFFFAOYSA-N
XLogP1.20
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 ≤ 51.20
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-[[1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-yl]methyl]ethanamine
CID 106418281
N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]propan-1-amine
CID 63847714
N-[[1-(1,2-oxazol-3-ylmethyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 81177841
N-[[1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine
CID 62512310
1-[1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 63267588
5-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]methyl]-3-methyl-1,2,4-oxadiazole
CID 124803938
N-[(1-benzylpyrrolidin-3-yl)methyl]propan-1-amine
CID 14280885
N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]methyl]propan-1-amine
CID 63849789
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxylic acid
CID 43414257
N-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methyl]-1-phenylmethanesulfonamide
CID 72910147
N-[[1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine
CID 82873131
N-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]propan-1-amine
CID 63848408

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine (CID 55081783) is N-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine is CCCNCC1CCN(Cc2nc(C)no2)C1.
What is the InChIKey of N-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine?
The InChIKey is BZRGKHUBIUZMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-3-5-13-7-11-4-6-16(8-11)9-12-14-10(2)15-17-12/h11,13H,3-9H2,1-2H3.
What are the key properties of N-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine?
N-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine has a molecular weight of 238.33 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 55081783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).