8-(1,2,3,4-tetrahydronaphthalen-2-yl)-8-azabicyclo[3.2.1]octan-3-amine

C17H24N2 — CID 61236085

IUPAC8-(1,2,3,4-tetrahydronaphthalen-2-yl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESNC1CC2CCC(C1)N2C1CCc2ccccc2C1
InChIInChI=1S/C17H24N2/c18-14-10-16-7-8-17(11-14)19(16)15-6-5-12-3-1-2-4-13(12)9-15/h1-4,14-17H,5-11,18H2
InChIKeyKXWSITSVVMEZHL-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.50
Rot. Bonds1

About 8-(1,2,3,4-tetrahydronaphthalen-2-yl)-8-azabicyclo[3.2.1]octan-3-amine

8-(1,2,3,4-tetrahydronaphthalen-2-yl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 61236085) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 8-(1,2,3,4-tetrahydronaphthalen-2-yl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-(1,2,3,4-tetrahydronaphthalen-2-yl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID61236085
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name8-(1,2,3,4-tetrahydronaphthalen-2-yl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESNC1CC2CCC(C1)N2C1CCc2ccccc2C1
InChIInChI=1S/C17H24N2/c18-14-10-16-7-8-17(11-14)19(16)15-6-5-12-3-1-2-4-13(12)9-15/h1-4,14-17H,5-11,18H2
InChIKeyKXWSITSVVMEZHL-UHFFFAOYSA-N
XLogP2.50
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(1,2,3,4-tetrahydronaphthalen-2-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-(1,2,3,4-tetrahydronaphthalen-2-yl)-8-azabicyclo[3.2.1]octan-3-amine (CID 61236085) is 8-(1,2,3,4-tetrahydronaphthalen-2-yl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-(1,2,3,4-tetrahydronaphthalen-2-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-(1,2,3,4-tetrahydronaphthalen-2-yl)-8-azabicyclo[3.2.1]octan-3-amine is NC1CC2CCC(C1)N2C1CCc2ccccc2C1.
What is the InChIKey of 8-(1,2,3,4-tetrahydronaphthalen-2-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is KXWSITSVVMEZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c18-14-10-16-7-8-17(11-14)19(16)15-6-5-12-3-1-2-4-13(12)9-15/h1-4,14-17H,5-11,18H2.
What are the key properties of 8-(1,2,3,4-tetrahydronaphthalen-2-yl)-8-azabicyclo[3.2.1]octan-3-amine?
8-(1,2,3,4-tetrahydronaphthalen-2-yl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 256.39 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,2,3,4-tetrahydronaphthalen-2-yl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 61236085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).