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

C9H16N4O — CID 103577122

IUPAC4-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-amine
SMILESCc1nnc(CN2CC(C)C(N)C2)o1
InChIInChI=1S/C9H16N4O/c1-6-3-13(4-8(6)10)5-9-12-11-7(2)14-9/h6,8H,3-5,10H2,1-2H3
InChIKeyCYDYGGWIDZJIHI-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.16
Rot. Bonds2

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

4-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-amine (PubChem CID 103577122) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name4-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-amine
PubChem CID103577122
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name4-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-amine
SMILESCc1nnc(CN2CC(C)C(N)C2)o1
InChIInChI=1S/C9H16N4O/c1-6-3-13(4-8(6)10)5-9-12-11-7(2)14-9/h6,8H,3-5,10H2,1-2H3
InChIKeyCYDYGGWIDZJIHI-UHFFFAOYSA-N
XLogP0.16
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-ol
CID 131186330
2-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
CID 47010419
2-(3-amino-4-methylpyrrolidin-1-yl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
CID 103576790
1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylpiperidin-4-amine
CID 79867727
2-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]azetidin-3-yl]propanoic acid
CID 116683828
1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-methylpyrrolidin-3-amine
CID 103576788
4-methyl-1-[(5-methyl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-amine
CID 103577352
2-[(3-ethylpiperidin-1-yl)methyl]-5-methyl-1,3,4-oxadiazole
CID 51078850
6-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 103576707
1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]ethanol
CID 112628366
4-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine
CID 103575106
N-methyl-1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methanamine
CID 63249055

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of 4-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-amine (CID 103577122) is 4-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for 4-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for 4-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-amine is Cc1nnc(CN2CC(C)C(N)C2)o1.
What is the InChIKey of 4-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-amine?
The InChIKey is CYDYGGWIDZJIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-6-3-13(4-8(6)10)5-9-12-11-7(2)14-9/h6,8H,3-5,10H2,1-2H3.
What are the key properties of 4-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-amine?
4-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-amine has a molecular weight of 196.25 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 103577122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).