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

C12H22N4O — CID 115081030

IUPACN-methyl-1-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESCNCc1nc(CC2CCN(C(C)C)C2)no1
InChIInChI=1S/C12H22N4O/c1-9(2)16-5-4-10(8-16)6-11-14-12(7-13-3)17-15-11/h9-10,13H,4-8H2,1-3H3
InChIKeyBKCNZDUGULETKP-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.06
Rot. Bonds5

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

N-methyl-1-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 115081030) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N-methyl-1-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID115081030
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN-methyl-1-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESCNCc1nc(CC2CCN(C(C)C)C2)no1
InChIInChI=1S/C12H22N4O/c1-9(2)16-5-4-10(8-16)6-11-14-12(7-13-3)17-15-11/h9-10,13H,4-8H2,1-3H3
InChIKeyBKCNZDUGULETKP-UHFFFAOYSA-N
XLogP1.06
TPSA54.19 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 ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of N-methyl-1-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine (CID 115081030) is N-methyl-1-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine is CNCc1nc(CC2CCN(C(C)C)C2)no1.
What is the InChIKey of N-methyl-1-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is BKCNZDUGULETKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-9(2)16-5-4-10(8-16)6-11-14-12(7-13-3)17-15-11/h9-10,13H,4-8H2,1-3H3.
What are the key properties of N-methyl-1-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine?
N-methyl-1-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 238.33 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 115081030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).