N-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2,3-dihydro-1H-inden-2-amine

C24H30N2 — CID 20649394

IUPACN-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2,3-dihydro-1H-inden-2-amine
SMILESc1ccc(CN2C3CCC2CC(CNC2Cc4ccccc4C2)C3)cc1
InChIInChI=1S/C24H30N2/c1-2-6-18(7-3-1)17-26-23-10-11-24(26)13-19(12-23)16-25-22-14-20-8-4-5-9-21(20)15-22/h1-9,19,22-25H,10-17H2
InChIKeyVIRROIJFTMHTCU-UHFFFAOYSA-N
MW346.52 g/mol
LogP4.19
Rot. Bonds5

About N-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2,3-dihydro-1H-inden-2-amine

N-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2,3-dihydro-1H-inden-2-amine (PubChem CID 20649394) has the molecular formula C24H30N2 and a molecular weight of 346.52 g/mol. Its IUPAC name is N-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2,3-dihydro-1H-inden-2-amine
PubChem CID20649394
Molecular FormulaC24H30N2
Molecular Weight346.52 g/mol
Exact Mass346.24
IUPAC NameN-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2,3-dihydro-1H-inden-2-amine
SMILESc1ccc(CN2C3CCC2CC(CNC2Cc4ccccc4C2)C3)cc1
InChIInChI=1S/C24H30N2/c1-2-6-18(7-3-1)17-26-23-10-11-24(26)13-19(12-23)16-25-22-14-20-8-4-5-9-21(20)15-22/h1-9,19,22-25H,10-17H2
InChIKeyVIRROIJFTMHTCU-UHFFFAOYSA-N
XLogP4.19
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2,3-dihydro-1H-inden-2-amine (CID 20649394) is N-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2,3-dihydro-1H-inden-2-amine is c1ccc(CN2C3CCC2CC(CNC2Cc4ccccc4C2)C3)cc1.
What is the InChIKey of N-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2,3-dihydro-1H-inden-2-amine?
The InChIKey is VIRROIJFTMHTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2/c1-2-6-18(7-3-1)17-26-23-10-11-24(26)13-19(12-23)16-25-22-14-20-8-4-5-9-21(20)15-22/h1-9,19,22-25H,10-17H2.
What are the key properties of N-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2,3-dihydro-1H-inden-2-amine?
N-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2,3-dihydro-1H-inden-2-amine has a molecular weight of 346.52 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 20649394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).