N-benzyl-N-[3-(2-methylprop-2-enoxy)-2-pyrrolidin-1-ylpropyl]aniline

C24H32N2O — CID 14371657

IUPACN-benzyl-N-[3-(2-methylprop-2-enoxy)-2-pyrrolidin-1-ylpropyl]aniline
SMILESC=C(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1
InChIInChI=1S/C24H32N2O/c1-21(2)19-27-20-24(25-15-9-10-16-25)18-26(23-13-7-4-8-14-23)17-22-11-5-3-6-12-22/h3-8,11-14,24H,1,9-10,15-20H2,2H3
InChIKeyCPRTUSZCYCCFAK-UHFFFAOYSA-N
MW364.53 g/mol
LogP4.75
Rot. Bonds10

About N-benzyl-N-[3-(2-methylprop-2-enoxy)-2-pyrrolidin-1-ylpropyl]aniline

N-benzyl-N-[3-(2-methylprop-2-enoxy)-2-pyrrolidin-1-ylpropyl]aniline (PubChem CID 14371657) has the molecular formula C24H32N2O and a molecular weight of 364.53 g/mol. Its IUPAC name is N-benzyl-N-[3-(2-methylprop-2-enoxy)-2-pyrrolidin-1-ylpropyl]aniline.

Molecular Properties

Compound NameN-benzyl-N-[3-(2-methylprop-2-enoxy)-2-pyrrolidin-1-ylpropyl]aniline
PubChem CID14371657
Molecular FormulaC24H32N2O
Molecular Weight364.53 g/mol
Exact Mass364.25
IUPAC NameN-benzyl-N-[3-(2-methylprop-2-enoxy)-2-pyrrolidin-1-ylpropyl]aniline
SMILESC=C(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1
InChIInChI=1S/C24H32N2O/c1-21(2)19-27-20-24(25-15-9-10-16-25)18-26(23-13-7-4-8-14-23)17-22-11-5-3-6-12-22/h3-8,11-14,24H,1,9-10,15-20H2,2H3
InChIKeyCPRTUSZCYCCFAK-UHFFFAOYSA-N
XLogP4.75
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[3-(2-methylprop-2-enoxy)-2-pyrrolidin-1-ylpropyl]aniline?
The IUPAC name of N-benzyl-N-[3-(2-methylprop-2-enoxy)-2-pyrrolidin-1-ylpropyl]aniline (CID 14371657) is N-benzyl-N-[3-(2-methylprop-2-enoxy)-2-pyrrolidin-1-ylpropyl]aniline.
What is the SMILES notation for N-benzyl-N-[3-(2-methylprop-2-enoxy)-2-pyrrolidin-1-ylpropyl]aniline?
The canonical SMILES for N-benzyl-N-[3-(2-methylprop-2-enoxy)-2-pyrrolidin-1-ylpropyl]aniline is C=C(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1.
What is the InChIKey of N-benzyl-N-[3-(2-methylprop-2-enoxy)-2-pyrrolidin-1-ylpropyl]aniline?
The InChIKey is CPRTUSZCYCCFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O/c1-21(2)19-27-20-24(25-15-9-10-16-25)18-26(23-13-7-4-8-14-23)17-22-11-5-3-6-12-22/h3-8,11-14,24H,1,9-10,15-20H2,2H3.
What are the key properties of N-benzyl-N-[3-(2-methylprop-2-enoxy)-2-pyrrolidin-1-ylpropyl]aniline?
N-benzyl-N-[3-(2-methylprop-2-enoxy)-2-pyrrolidin-1-ylpropyl]aniline has a molecular weight of 364.53 g/mol, XLogP of 4.75, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[3-(2-methylprop-2-enoxy)-2-pyrrolidin-1-ylpropyl]aniline is sourced from PubChem (CID 14371657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).