2-[2-[di(propan-2-yl)amino]ethyl]-2-phenyl-1,5,6,7,8,8a-hexahydroindolizin-3-one;hydrochloride

C22H35ClN2O — CID 45260644

IUPAC2-[2-[di(propan-2-yl)amino]ethyl]-2-phenyl-1,5,6,7,8,8a-hexahydroindolizin-3-one;hydrochloride
SMILESCC(C)N(CCC1(c2ccccc2)CC2CCCCN2C1=O)C(C)C.Cl
InChIInChI=1S/C22H34N2O.ClH/c1-17(2)23(18(3)4)15-13-22(19-10-6-5-7-11-19)16-20-12-8-9-14-24(20)21(22)25;/h5-7,10-11,17-18,20H,8-9,12-16H2,1-4H3;1H
InChIKeyPRNLXWIAZDSJQQ-UHFFFAOYSA-N
MW378.99 g/mol
LogP4.64
Rot. Bonds6

About 2-[2-[di(propan-2-yl)amino]ethyl]-2-phenyl-1,5,6,7,8,8a-hexahydroindolizin-3-one;hydrochloride

2-[2-[di(propan-2-yl)amino]ethyl]-2-phenyl-1,5,6,7,8,8a-hexahydroindolizin-3-one;hydrochloride (PubChem CID 45260644) has the molecular formula C22H35ClN2O and a molecular weight of 378.99 g/mol. Its IUPAC name is 2-[2-[di(propan-2-yl)amino]ethyl]-2-phenyl-1,5,6,7,8,8a-hexahydroindolizin-3-one;hydrochloride.

Molecular Properties

Compound Name2-[2-[di(propan-2-yl)amino]ethyl]-2-phenyl-1,5,6,7,8,8a-hexahydroindolizin-3-one;hydrochloride
PubChem CID45260644
Molecular FormulaC22H35ClN2O
Molecular Weight378.99 g/mol
Exact Mass378.24
IUPAC Name2-[2-[di(propan-2-yl)amino]ethyl]-2-phenyl-1,5,6,7,8,8a-hexahydroindolizin-3-one;hydrochloride
SMILESCC(C)N(CCC1(c2ccccc2)CC2CCCCN2C1=O)C(C)C.Cl
InChIInChI=1S/C22H34N2O.ClH/c1-17(2)23(18(3)4)15-13-22(19-10-6-5-7-11-19)16-20-12-8-9-14-24(20)21(22)25;/h5-7,10-11,17-18,20H,8-9,12-16H2,1-4H3;1H
InChIKeyPRNLXWIAZDSJQQ-UHFFFAOYSA-N
XLogP4.64
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.99
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[di(propan-2-yl)amino]ethyl]-2-phenyl-1,5,6,7,8,8a-hexahydroindolizin-3-one;hydrochloride?
The IUPAC name of 2-[2-[di(propan-2-yl)amino]ethyl]-2-phenyl-1,5,6,7,8,8a-hexahydroindolizin-3-one;hydrochloride (CID 45260644) is 2-[2-[di(propan-2-yl)amino]ethyl]-2-phenyl-1,5,6,7,8,8a-hexahydroindolizin-3-one;hydrochloride.
What is the SMILES notation for 2-[2-[di(propan-2-yl)amino]ethyl]-2-phenyl-1,5,6,7,8,8a-hexahydroindolizin-3-one;hydrochloride?
The canonical SMILES for 2-[2-[di(propan-2-yl)amino]ethyl]-2-phenyl-1,5,6,7,8,8a-hexahydroindolizin-3-one;hydrochloride is CC(C)N(CCC1(c2ccccc2)CC2CCCCN2C1=O)C(C)C.Cl.
What is the InChIKey of 2-[2-[di(propan-2-yl)amino]ethyl]-2-phenyl-1,5,6,7,8,8a-hexahydroindolizin-3-one;hydrochloride?
The InChIKey is PRNLXWIAZDSJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O.ClH/c1-17(2)23(18(3)4)15-13-22(19-10-6-5-7-11-19)16-20-12-8-9-14-24(20)21(22)25;/h5-7,10-11,17-18,20H,8-9,12-16H2,1-4H3;1H.
What are the key properties of 2-[2-[di(propan-2-yl)amino]ethyl]-2-phenyl-1,5,6,7,8,8a-hexahydroindolizin-3-one;hydrochloride?
2-[2-[di(propan-2-yl)amino]ethyl]-2-phenyl-1,5,6,7,8,8a-hexahydroindolizin-3-one;hydrochloride has a molecular weight of 378.99 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[di(propan-2-yl)amino]ethyl]-2-phenyl-1,5,6,7,8,8a-hexahydroindolizin-3-one;hydrochloride is sourced from PubChem (CID 45260644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).