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

C12H22N4O — CID 81490982

IUPACN-methyl-1-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methanamine
SMILESCNCC1CCCN1Cc1noc(C(C)C)n1
InChIInChI=1S/C12H22N4O/c1-9(2)12-14-11(15-17-12)8-16-6-4-5-10(16)7-13-3/h9-10,13H,4-8H2,1-3H3
InChIKeyKTVAZOIQFIJLLT-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.38
Rot. Bonds5

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

N-methyl-1-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methanamine (PubChem CID 81490982) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N-methyl-1-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methanamine
PubChem CID81490982
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN-methyl-1-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methanamine
SMILESCNCC1CCCN1Cc1noc(C(C)C)n1
InChIInChI=1S/C12H22N4O/c1-9(2)12-14-11(15-17-12)8-16-6-4-5-10(16)7-13-3/h9-10,13H,4-8H2,1-3H3
InChIKeyKTVAZOIQFIJLLT-UHFFFAOYSA-N
XLogP1.38
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 ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methanamine (CID 81490982) is N-methyl-1-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methanamine is CNCC1CCCN1Cc1noc(C(C)C)n1.
What is the InChIKey of N-methyl-1-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methanamine?
The InChIKey is KTVAZOIQFIJLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-9(2)12-14-11(15-17-12)8-16-6-4-5-10(16)7-13-3/h9-10,13H,4-8H2,1-3H3.
What are the key properties of N-methyl-1-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methanamine?
N-methyl-1-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methanamine has a molecular weight of 238.33 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 81490982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).