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

C9H16N4O — CID 63006477

IUPACN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine
SMILESCc1noc(CNCC2CCNC2)n1
InChIInChI=1S/C9H16N4O/c1-7-12-9(14-13-7)6-11-5-8-2-3-10-4-8/h8,10-11H,2-6H2,1H3
InChIKeyLEKSISGLLDHIPZ-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.08
Rot. Bonds4

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

N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine (PubChem CID 63006477) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine.

Molecular Properties

Compound NameN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine
PubChem CID63006477
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC NameN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine
SMILESCc1noc(CNCC2CCNC2)n1
InChIInChI=1S/C9H16N4O/c1-7-12-9(14-13-7)6-11-5-8-2-3-10-4-8/h8,10-11H,2-6H2,1H3
InChIKeyLEKSISGLLDHIPZ-UHFFFAOYSA-N
XLogP0.08
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine?
The IUPAC name of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine (CID 63006477) is N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine.
What is the SMILES notation for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine?
The canonical SMILES for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine is Cc1noc(CNCC2CCNC2)n1.
What is the InChIKey of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine?
The InChIKey is LEKSISGLLDHIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-7-12-9(14-13-7)6-11-5-8-2-3-10-4-8/h8,10-11H,2-6H2,1H3.
What are the key properties of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine?
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine has a molecular weight of 196.25 g/mol, XLogP of 0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine is sourced from PubChem (CID 63006477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).