N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

C17H23BrN2 — CID 63626581

IUPACN-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESBrc1ccc2c(c1)CCC(NC1CCN3CCCC13)C2
InChIInChI=1S/C17H23BrN2/c18-14-5-3-13-11-15(6-4-12(13)10-14)19-16-7-9-20-8-1-2-17(16)20/h3,5,10,15-17,19H,1-2,4,6-9,11H2
InChIKeyRMJJHBOHQQZTQY-UHFFFAOYSA-N
MW335.29 g/mol
LogP3.13
Rot. Bonds2

About N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (PubChem CID 63626581) has the molecular formula C17H23BrN2 and a molecular weight of 335.29 g/mol. Its IUPAC name is N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.

Molecular Properties

Compound NameN-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
PubChem CID63626581
Molecular FormulaC17H23BrN2
Molecular Weight335.29 g/mol
Exact Mass334.10
IUPAC NameN-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESBrc1ccc2c(c1)CCC(NC1CCN3CCCC13)C2
InChIInChI=1S/C17H23BrN2/c18-14-5-3-13-11-15(6-4-12(13)10-14)19-16-7-9-20-8-1-2-17(16)20/h3,5,10,15-17,19H,1-2,4,6-9,11H2
InChIKeyRMJJHBOHQQZTQY-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.29
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The IUPAC name of N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (CID 63626581) is N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.
What is the SMILES notation for N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The canonical SMILES for N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is Brc1ccc2c(c1)CCC(NC1CCN3CCCC13)C2.
What is the InChIKey of N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The InChIKey is RMJJHBOHQQZTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2/c18-14-5-3-13-11-15(6-4-12(13)10-14)19-16-7-9-20-8-1-2-17(16)20/h3,5,10,15-17,19H,1-2,4,6-9,11H2.
What are the key properties of N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine has a molecular weight of 335.29 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is sourced from PubChem (CID 63626581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).