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

C12H22N4O — CID 55204391

IUPACN-ethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine
SMILESCCN(Cc1noc(C(C)C)n1)C1CCNC1
InChIInChI=1S/C12H22N4O/c1-4-16(10-5-6-13-7-10)8-11-14-12(9(2)3)17-15-11/h9-10,13H,4-8H2,1-3H3
InChIKeyINMCHQPVYMXOQU-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.38
Rot. Bonds5

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

N-ethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine (PubChem CID 55204391) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N-ethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-ethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine
PubChem CID55204391
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN-ethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine
SMILESCCN(Cc1noc(C(C)C)n1)C1CCNC1
InChIInChI=1S/C12H22N4O/c1-4-16(10-5-6-13-7-10)8-11-14-12(9(2)3)17-15-11/h9-10,13H,4-8H2,1-3H3
InChIKeyINMCHQPVYMXOQU-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-ethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of N-ethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine (CID 55204391) is N-ethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for N-ethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for N-ethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine is CCN(Cc1noc(C(C)C)n1)C1CCNC1.
What is the InChIKey of N-ethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine?
The InChIKey is INMCHQPVYMXOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-4-16(10-5-6-13-7-10)8-11-14-12(9(2)3)17-15-11/h9-10,13H,4-8H2,1-3H3.
What are the key properties of N-ethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine?
N-ethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine 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-ethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 55204391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).