N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]aniline;hydrochloride

C15H23ClN2 — CID 12833627

IUPACN-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]aniline;hydrochloride
SMILESCl.c1ccc(NCCC23CCCN2CCC3)cc1
InChIInChI=1S/C15H22N2.ClH/c1-2-6-14(7-3-1)16-11-10-15-8-4-12-17(15)13-5-9-15;/h1-3,6-7,16H,4-5,8-13H2;1H
InChIKeyNOOWYAXZULJRII-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.54
Rot. Bonds4

About N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]aniline;hydrochloride

N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]aniline;hydrochloride (PubChem CID 12833627) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]aniline;hydrochloride.

Molecular Properties

Compound NameN-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]aniline;hydrochloride
PubChem CID12833627
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC NameN-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]aniline;hydrochloride
SMILESCl.c1ccc(NCCC23CCCN2CCC3)cc1
InChIInChI=1S/C15H22N2.ClH/c1-2-6-14(7-3-1)16-11-10-15-8-4-12-17(15)13-5-9-15;/h1-3,6-7,16H,4-5,8-13H2;1H
InChIKeyNOOWYAXZULJRII-UHFFFAOYSA-N
XLogP3.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]aniline;hydrochloride?
The IUPAC name of N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]aniline;hydrochloride (CID 12833627) is N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]aniline;hydrochloride.
What is the SMILES notation for N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]aniline;hydrochloride?
The canonical SMILES for N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]aniline;hydrochloride is Cl.c1ccc(NCCC23CCCN2CCC3)cc1.
What is the InChIKey of N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]aniline;hydrochloride?
The InChIKey is NOOWYAXZULJRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2.ClH/c1-2-6-14(7-3-1)16-11-10-15-8-4-12-17(15)13-5-9-15;/h1-3,6-7,16H,4-5,8-13H2;1H.
What are the key properties of N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]aniline;hydrochloride?
N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]aniline;hydrochloride has a molecular weight of 266.82 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]aniline;hydrochloride is sourced from PubChem (CID 12833627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).