2-[2-[2-[di(propan-2-yl)amino]ethyl]cyclohexyl]-2H-indolizin-3-one

C22H34N2O — CID 70384235

IUPAC2-[2-[2-[di(propan-2-yl)amino]ethyl]cyclohexyl]-2H-indolizin-3-one
SMILESCC(C)N(CCC1CCCCC1C1C=C2C=CC=CN2C1=O)C(C)C
InChIInChI=1S/C22H34N2O/c1-16(2)23(17(3)4)14-12-18-9-5-6-11-20(18)21-15-19-10-7-8-13-24(19)22(21)25/h7-8,10,13,15-18,20-21H,5-6,9,11-12,14H2,1-4H3
InChIKeyHPIFHKUHMUZRCY-UHFFFAOYSA-N
MW342.53 g/mol
LogP4.73
Rot. Bonds6

About 2-[2-[2-[di(propan-2-yl)amino]ethyl]cyclohexyl]-2H-indolizin-3-one

2-[2-[2-[di(propan-2-yl)amino]ethyl]cyclohexyl]-2H-indolizin-3-one (PubChem CID 70384235) has the molecular formula C22H34N2O and a molecular weight of 342.53 g/mol. Its IUPAC name is 2-[2-[2-[di(propan-2-yl)amino]ethyl]cyclohexyl]-2H-indolizin-3-one.

Molecular Properties

Compound Name2-[2-[2-[di(propan-2-yl)amino]ethyl]cyclohexyl]-2H-indolizin-3-one
PubChem CID70384235
Molecular FormulaC22H34N2O
Molecular Weight342.53 g/mol
Exact Mass342.27
IUPAC Name2-[2-[2-[di(propan-2-yl)amino]ethyl]cyclohexyl]-2H-indolizin-3-one
SMILESCC(C)N(CCC1CCCCC1C1C=C2C=CC=CN2C1=O)C(C)C
InChIInChI=1S/C22H34N2O/c1-16(2)23(17(3)4)14-12-18-9-5-6-11-20(18)21-15-19-10-7-8-13-24(19)22(21)25/h7-8,10,13,15-18,20-21H,5-6,9,11-12,14H2,1-4H3
InChIKeyHPIFHKUHMUZRCY-UHFFFAOYSA-N
XLogP4.73
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.53
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[di(propan-2-yl)amino]ethyl]cyclohexyl]-2H-indolizin-3-one?
The IUPAC name of 2-[2-[2-[di(propan-2-yl)amino]ethyl]cyclohexyl]-2H-indolizin-3-one (CID 70384235) is 2-[2-[2-[di(propan-2-yl)amino]ethyl]cyclohexyl]-2H-indolizin-3-one.
What is the SMILES notation for 2-[2-[2-[di(propan-2-yl)amino]ethyl]cyclohexyl]-2H-indolizin-3-one?
The canonical SMILES for 2-[2-[2-[di(propan-2-yl)amino]ethyl]cyclohexyl]-2H-indolizin-3-one is CC(C)N(CCC1CCCCC1C1C=C2C=CC=CN2C1=O)C(C)C.
What is the InChIKey of 2-[2-[2-[di(propan-2-yl)amino]ethyl]cyclohexyl]-2H-indolizin-3-one?
The InChIKey is HPIFHKUHMUZRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O/c1-16(2)23(17(3)4)14-12-18-9-5-6-11-20(18)21-15-19-10-7-8-13-24(19)22(21)25/h7-8,10,13,15-18,20-21H,5-6,9,11-12,14H2,1-4H3.
What are the key properties of 2-[2-[2-[di(propan-2-yl)amino]ethyl]cyclohexyl]-2H-indolizin-3-one?
2-[2-[2-[di(propan-2-yl)amino]ethyl]cyclohexyl]-2H-indolizin-3-one has a molecular weight of 342.53 g/mol, XLogP of 4.73, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[di(propan-2-yl)amino]ethyl]cyclohexyl]-2H-indolizin-3-one is sourced from PubChem (CID 70384235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).