N-benzyl-N-methyl-1-pyrrolidin-1-ylspiro[1,2-dihydroindene-3,4'-oxane]-2-amine

C25H32N2O — CID 14126801

IUPACN-benzyl-N-methyl-1-pyrrolidin-1-ylspiro[1,2-dihydroindene-3,4'-oxane]-2-amine
SMILESCN(Cc1ccccc1)C1C(N2CCCC2)c2ccccc2C12CCOCC2
InChIInChI=1S/C25H32N2O/c1-26(19-20-9-3-2-4-10-20)24-23(27-15-7-8-16-27)21-11-5-6-12-22(21)25(24)13-17-28-18-14-25/h2-6,9-12,23-24H,7-8,13-19H2,1H3
InChIKeyTVHWPGCAEDNQEY-UHFFFAOYSA-N
MW376.54 g/mol
LogP4.39
Rot. Bonds4

About N-benzyl-N-methyl-1-pyrrolidin-1-ylspiro[1,2-dihydroindene-3,4'-oxane]-2-amine

N-benzyl-N-methyl-1-pyrrolidin-1-ylspiro[1,2-dihydroindene-3,4'-oxane]-2-amine (PubChem CID 14126801) has the molecular formula C25H32N2O and a molecular weight of 376.54 g/mol. Its IUPAC name is N-benzyl-N-methyl-1-pyrrolidin-1-ylspiro[1,2-dihydroindene-3,4'-oxane]-2-amine.

Molecular Properties

Compound NameN-benzyl-N-methyl-1-pyrrolidin-1-ylspiro[1,2-dihydroindene-3,4'-oxane]-2-amine
PubChem CID14126801
Molecular FormulaC25H32N2O
Molecular Weight376.54 g/mol
Exact Mass376.25
IUPAC NameN-benzyl-N-methyl-1-pyrrolidin-1-ylspiro[1,2-dihydroindene-3,4'-oxane]-2-amine
SMILESCN(Cc1ccccc1)C1C(N2CCCC2)c2ccccc2C12CCOCC2
InChIInChI=1S/C25H32N2O/c1-26(19-20-9-3-2-4-10-20)24-23(27-15-7-8-16-27)21-11-5-6-12-22(21)25(24)13-17-28-18-14-25/h2-6,9-12,23-24H,7-8,13-19H2,1H3
InChIKeyTVHWPGCAEDNQEY-UHFFFAOYSA-N
XLogP4.39
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.54
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-1-pyrrolidin-1-ylspiro[1,2-dihydroindene-3,4'-oxane]-2-amine?
The IUPAC name of N-benzyl-N-methyl-1-pyrrolidin-1-ylspiro[1,2-dihydroindene-3,4'-oxane]-2-amine (CID 14126801) is N-benzyl-N-methyl-1-pyrrolidin-1-ylspiro[1,2-dihydroindene-3,4'-oxane]-2-amine.
What is the SMILES notation for N-benzyl-N-methyl-1-pyrrolidin-1-ylspiro[1,2-dihydroindene-3,4'-oxane]-2-amine?
The canonical SMILES for N-benzyl-N-methyl-1-pyrrolidin-1-ylspiro[1,2-dihydroindene-3,4'-oxane]-2-amine is CN(Cc1ccccc1)C1C(N2CCCC2)c2ccccc2C12CCOCC2.
What is the InChIKey of N-benzyl-N-methyl-1-pyrrolidin-1-ylspiro[1,2-dihydroindene-3,4'-oxane]-2-amine?
The InChIKey is TVHWPGCAEDNQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O/c1-26(19-20-9-3-2-4-10-20)24-23(27-15-7-8-16-27)21-11-5-6-12-22(21)25(24)13-17-28-18-14-25/h2-6,9-12,23-24H,7-8,13-19H2,1H3.
What are the key properties of N-benzyl-N-methyl-1-pyrrolidin-1-ylspiro[1,2-dihydroindene-3,4'-oxane]-2-amine?
N-benzyl-N-methyl-1-pyrrolidin-1-ylspiro[1,2-dihydroindene-3,4'-oxane]-2-amine has a molecular weight of 376.54 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-1-pyrrolidin-1-ylspiro[1,2-dihydroindene-3,4'-oxane]-2-amine is sourced from PubChem (CID 14126801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).