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

C11H20N4O — CID 107423596

IUPAC3-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine
SMILESCC(C)c1nc(CNC2(C)CCNC2)no1
InChIInChI=1S/C11H20N4O/c1-8(2)10-14-9(15-16-10)6-13-11(3)4-5-12-7-11/h8,12-13H,4-7H2,1-3H3
InChIKeyCCVVMFDUYQLOBD-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.03
Rot. Bonds4

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

3-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine (PubChem CID 107423596) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 3-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name3-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine
PubChem CID107423596
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name3-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine
SMILESCC(C)c1nc(CNC2(C)CCNC2)no1
InChIInChI=1S/C11H20N4O/c1-8(2)10-14-9(15-16-10)6-13-11(3)4-5-12-7-11/h8,12-13H,4-7H2,1-3H3
InChIKeyCCVVMFDUYQLOBD-UHFFFAOYSA-N
XLogP1.03
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentan-1-amine
CID 107911470
3-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-amine
CID 107424344
2-[[(3-methylpyrrolidin-3-yl)amino]methyl]quinazolin-4-amine
CID 107424502
3-methyl-N-(2-methylbutyl)pyrrolidin-3-amine
CID 107424428
N-ethyl-3-methylpyrrolidin-3-amine
CID 107423762
3-methyl-N-(pyridin-3-ylmethyl)pyrrolidin-3-amine
CID 107424178
N-[(3,5-difluorophenyl)methyl]-3-methylpyrrolidin-3-amine
CID 107424600
2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methylamino]acetic acid
CID 61497413
N-[(5-chloropyrazin-2-yl)methyl]-3-methylpyrrolidin-3-amine
CID 107424751
3-[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2,4-oxadiazole
CID 120899647
N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methylpyrrolidin-3-yl)amino]acetamide
CID 107423504
N-[(6-fluoroquinolin-8-yl)methyl]-3-methylpyrrolidin-3-amine
CID 107424086

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of 3-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine (CID 107423596) is 3-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for 3-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for 3-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine is CC(C)c1nc(CNC2(C)CCNC2)no1.
What is the InChIKey of 3-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine?
The InChIKey is CCVVMFDUYQLOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-8(2)10-14-9(15-16-10)6-13-11(3)4-5-12-7-11/h8,12-13H,4-7H2,1-3H3.
What are the key properties of 3-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine?
3-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 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 107423596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).