N-methyl-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-N-(2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylethyl)ethanamine

C29H39N3O2 — CID 18700233

IUPACN-methyl-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-N-(2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylethyl)ethanamine
SMILESCN(CCN1CCC2(CC1)OCc1ccccc12)CCN1CCC2(CC1)OCc1ccccc12
InChIInChI=1S/C29H39N3O2/c1-30(18-20-31-14-10-28(11-15-31)26-8-4-2-6-24(26)22-33-28)19-21-32-16-12-29(13-17-32)27-9-5-3-7-25(27)23-34-29/h2-9H,10-23H2,1H3
InChIKeyIJMHPUNCTDATKL-UHFFFAOYSA-N
MW461.65 g/mol
LogP3.96
Rot. Bonds6

About N-methyl-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-N-(2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylethyl)ethanamine

N-methyl-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-N-(2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylethyl)ethanamine (PubChem CID 18700233) has the molecular formula C29H39N3O2 and a molecular weight of 461.65 g/mol. Its IUPAC name is N-methyl-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-N-(2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylethyl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-N-(2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylethyl)ethanamine
PubChem CID18700233
Molecular FormulaC29H39N3O2
Molecular Weight461.65 g/mol
Exact Mass461.30
IUPAC NameN-methyl-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-N-(2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylethyl)ethanamine
SMILESCN(CCN1CCC2(CC1)OCc1ccccc12)CCN1CCC2(CC1)OCc1ccccc12
InChIInChI=1S/C29H39N3O2/c1-30(18-20-31-14-10-28(11-15-31)26-8-4-2-6-24(26)22-33-28)19-21-32-16-12-29(13-17-32)27-9-5-3-7-25(27)23-34-29/h2-9H,10-23H2,1H3
InChIKeyIJMHPUNCTDATKL-UHFFFAOYSA-N
XLogP3.96
TPSA28.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.65
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-N-(2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylethyl)ethanamine?
The IUPAC name of N-methyl-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-N-(2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylethyl)ethanamine (CID 18700233) is N-methyl-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-N-(2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylethyl)ethanamine.
What is the SMILES notation for N-methyl-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-N-(2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylethyl)ethanamine?
The canonical SMILES for N-methyl-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-N-(2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylethyl)ethanamine is CN(CCN1CCC2(CC1)OCc1ccccc12)CCN1CCC2(CC1)OCc1ccccc12.
What is the InChIKey of N-methyl-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-N-(2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylethyl)ethanamine?
The InChIKey is IJMHPUNCTDATKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N3O2/c1-30(18-20-31-14-10-28(11-15-31)26-8-4-2-6-24(26)22-33-28)19-21-32-16-12-29(13-17-32)27-9-5-3-7-25(27)23-34-29/h2-9H,10-23H2,1H3.
What are the key properties of N-methyl-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-N-(2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylethyl)ethanamine?
N-methyl-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-N-(2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylethyl)ethanamine has a molecular weight of 461.65 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-N-(2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylethyl)ethanamine is sourced from PubChem (CID 18700233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).