1,2-diphenyl-N-[(6-phenyl-6-azaspiro[2.5]octan-2-yl)methyl]ethanamine

C28H32N2 — CID 56962034

IUPAC1,2-diphenyl-N-[(6-phenyl-6-azaspiro[2.5]octan-2-yl)methyl]ethanamine
SMILESc1ccc(CC(NCC2CC23CCN(c2ccccc2)CC3)c2ccccc2)cc1
InChIInChI=1S/C28H32N2/c1-4-10-23(11-5-1)20-27(24-12-6-2-7-13-24)29-22-25-21-28(25)16-18-30(19-17-28)26-14-8-3-9-15-26/h1-15,25,27,29H,16-22H2
InChIKeyBGEPJWGHOXBDBT-UHFFFAOYSA-N
MW396.58 g/mol
LogP5.87
Rot. Bonds7

About 1,2-diphenyl-N-[(6-phenyl-6-azaspiro[2.5]octan-2-yl)methyl]ethanamine

1,2-diphenyl-N-[(6-phenyl-6-azaspiro[2.5]octan-2-yl)methyl]ethanamine (PubChem CID 56962034) has the molecular formula C28H32N2 and a molecular weight of 396.58 g/mol. Its IUPAC name is 1,2-diphenyl-N-[(6-phenyl-6-azaspiro[2.5]octan-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1,2-diphenyl-N-[(6-phenyl-6-azaspiro[2.5]octan-2-yl)methyl]ethanamine
PubChem CID56962034
Molecular FormulaC28H32N2
Molecular Weight396.58 g/mol
Exact Mass396.26
IUPAC Name1,2-diphenyl-N-[(6-phenyl-6-azaspiro[2.5]octan-2-yl)methyl]ethanamine
SMILESc1ccc(CC(NCC2CC23CCN(c2ccccc2)CC3)c2ccccc2)cc1
InChIInChI=1S/C28H32N2/c1-4-10-23(11-5-1)20-27(24-12-6-2-7-13-24)29-22-25-21-28(25)16-18-30(19-17-28)26-14-8-3-9-15-26/h1-15,25,27,29H,16-22H2
InChIKeyBGEPJWGHOXBDBT-UHFFFAOYSA-N
XLogP5.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.58
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-diphenyl-N-[(6-phenyl-6-azaspiro[2.5]octan-2-yl)methyl]ethanamine?
The IUPAC name of 1,2-diphenyl-N-[(6-phenyl-6-azaspiro[2.5]octan-2-yl)methyl]ethanamine (CID 56962034) is 1,2-diphenyl-N-[(6-phenyl-6-azaspiro[2.5]octan-2-yl)methyl]ethanamine.
What is the SMILES notation for 1,2-diphenyl-N-[(6-phenyl-6-azaspiro[2.5]octan-2-yl)methyl]ethanamine?
The canonical SMILES for 1,2-diphenyl-N-[(6-phenyl-6-azaspiro[2.5]octan-2-yl)methyl]ethanamine is c1ccc(CC(NCC2CC23CCN(c2ccccc2)CC3)c2ccccc2)cc1.
What is the InChIKey of 1,2-diphenyl-N-[(6-phenyl-6-azaspiro[2.5]octan-2-yl)methyl]ethanamine?
The InChIKey is BGEPJWGHOXBDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2/c1-4-10-23(11-5-1)20-27(24-12-6-2-7-13-24)29-22-25-21-28(25)16-18-30(19-17-28)26-14-8-3-9-15-26/h1-15,25,27,29H,16-22H2.
What are the key properties of 1,2-diphenyl-N-[(6-phenyl-6-azaspiro[2.5]octan-2-yl)methyl]ethanamine?
1,2-diphenyl-N-[(6-phenyl-6-azaspiro[2.5]octan-2-yl)methyl]ethanamine has a molecular weight of 396.58 g/mol, XLogP of 5.87, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenyl-N-[(6-phenyl-6-azaspiro[2.5]octan-2-yl)methyl]ethanamine is sourced from PubChem (CID 56962034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).