8-(2,3-dihydro-1H-inden-5-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine

C17H24N2 — CID 62740880

IUPAC8-(2,3-dihydro-1H-inden-5-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCNC1CC2CCC(C1)N2c1ccc2c(c1)CCC2
InChIInChI=1S/C17H24N2/c1-18-14-10-16-7-8-17(11-14)19(16)15-6-5-12-3-2-4-13(12)9-15/h5-6,9,14,16-18H,2-4,7-8,10-11H2,1H3
InChIKeyACKZRBCKFKIPHC-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.89
Rot. Bonds2

About 8-(2,3-dihydro-1H-inden-5-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine

8-(2,3-dihydro-1H-inden-5-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 62740880) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 8-(2,3-dihydro-1H-inden-5-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-(2,3-dihydro-1H-inden-5-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID62740880
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name8-(2,3-dihydro-1H-inden-5-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCNC1CC2CCC(C1)N2c1ccc2c(c1)CCC2
InChIInChI=1S/C17H24N2/c1-18-14-10-16-7-8-17(11-14)19(16)15-6-5-12-3-2-4-13(12)9-15/h5-6,9,14,16-18H,2-4,7-8,10-11H2,1H3
InChIKeyACKZRBCKFKIPHC-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(2,3-dihydro-1H-inden-5-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-(2,3-dihydro-1H-inden-5-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine (CID 62740880) is 8-(2,3-dihydro-1H-inden-5-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-(2,3-dihydro-1H-inden-5-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-(2,3-dihydro-1H-inden-5-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine is CNC1CC2CCC(C1)N2c1ccc2c(c1)CCC2.
What is the InChIKey of 8-(2,3-dihydro-1H-inden-5-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is ACKZRBCKFKIPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-18-14-10-16-7-8-17(11-14)19(16)15-6-5-12-3-2-4-13(12)9-15/h5-6,9,14,16-18H,2-4,7-8,10-11H2,1H3.
What are the key properties of 8-(2,3-dihydro-1H-inden-5-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
8-(2,3-dihydro-1H-inden-5-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 256.39 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,3-dihydro-1H-inden-5-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 62740880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).