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

C11H20N4O — CID 63301299

IUPACN-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine
SMILESCC(C)c1nc(CN(C)C2CCNC2)no1
InChIInChI=1S/C11H20N4O/c1-8(2)11-13-10(14-16-11)7-15(3)9-4-5-12-6-9/h8-9,12H,4-7H2,1-3H3
InChIKeyJYGNWOJOJUJRKU-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.99
Rot. Bonds4

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

N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine (PubChem CID 63301299) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine
PubChem CID63301299
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine
SMILESCC(C)c1nc(CN(C)C2CCNC2)no1
InChIInChI=1S/C11H20N4O/c1-8(2)11-13-10(14-16-11)7-15(3)9-4-5-12-6-9/h8-9,12H,4-7H2,1-3H3
InChIKeyJYGNWOJOJUJRKU-UHFFFAOYSA-N
XLogP0.99
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine (CID 63301299) is N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine is CC(C)c1nc(CN(C)C2CCNC2)no1.
What is the InChIKey of N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine?
The InChIKey is JYGNWOJOJUJRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-8(2)11-13-10(14-16-11)7-15(3)9-4-5-12-6-9/h8-9,12H,4-7H2,1-3H3.
What are the key properties of N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine?
N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine has a molecular weight of 224.31 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 63301299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).