[1-[2-[di(propan-2-yl)amino]ethyl]indolizin-8-yl] hydrogen carbonate

C17H24N2O3 — CID 169203164

IUPAC[1-[2-[di(propan-2-yl)amino]ethyl]indolizin-8-yl] hydrogen carbonate
SMILESCC(C)N(CCc1ccn2cccc(OC(=O)O)c12)C(C)C
InChIInChI=1S/C17H24N2O3/c1-12(2)19(13(3)4)11-8-14-7-10-18-9-5-6-15(16(14)18)22-17(20)21/h5-7,9-10,12-13H,8,11H2,1-4H3,(H,20,21)
InChIKeyZCHXQZPMTDSLRT-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.66
Rot. Bonds6

About [1-[2-[di(propan-2-yl)amino]ethyl]indolizin-8-yl] hydrogen carbonate

[1-[2-[di(propan-2-yl)amino]ethyl]indolizin-8-yl] hydrogen carbonate (PubChem CID 169203164) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is [1-[2-[di(propan-2-yl)amino]ethyl]indolizin-8-yl] hydrogen carbonate.

Molecular Properties

Compound Name[1-[2-[di(propan-2-yl)amino]ethyl]indolizin-8-yl] hydrogen carbonate
PubChem CID169203164
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name[1-[2-[di(propan-2-yl)amino]ethyl]indolizin-8-yl] hydrogen carbonate
SMILESCC(C)N(CCc1ccn2cccc(OC(=O)O)c12)C(C)C
InChIInChI=1S/C17H24N2O3/c1-12(2)19(13(3)4)11-8-14-7-10-18-9-5-6-15(16(14)18)22-17(20)21/h5-7,9-10,12-13H,8,11H2,1-4H3,(H,20,21)
InChIKeyZCHXQZPMTDSLRT-UHFFFAOYSA-N
XLogP3.66
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[2-[di(propan-2-yl)amino]ethyl]indolizin-8-yl] hydrogen carbonate?
The IUPAC name of [1-[2-[di(propan-2-yl)amino]ethyl]indolizin-8-yl] hydrogen carbonate (CID 169203164) is [1-[2-[di(propan-2-yl)amino]ethyl]indolizin-8-yl] hydrogen carbonate.
What is the SMILES notation for [1-[2-[di(propan-2-yl)amino]ethyl]indolizin-8-yl] hydrogen carbonate?
The canonical SMILES for [1-[2-[di(propan-2-yl)amino]ethyl]indolizin-8-yl] hydrogen carbonate is CC(C)N(CCc1ccn2cccc(OC(=O)O)c12)C(C)C.
What is the InChIKey of [1-[2-[di(propan-2-yl)amino]ethyl]indolizin-8-yl] hydrogen carbonate?
The InChIKey is ZCHXQZPMTDSLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-12(2)19(13(3)4)11-8-14-7-10-18-9-5-6-15(16(14)18)22-17(20)21/h5-7,9-10,12-13H,8,11H2,1-4H3,(H,20,21).
What are the key properties of [1-[2-[di(propan-2-yl)amino]ethyl]indolizin-8-yl] hydrogen carbonate?
[1-[2-[di(propan-2-yl)amino]ethyl]indolizin-8-yl] hydrogen carbonate has a molecular weight of 304.39 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[di(propan-2-yl)amino]ethyl]indolizin-8-yl] hydrogen carbonate is sourced from PubChem (CID 169203164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).