[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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Related Compounds

(E)-4-[[3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-yl]oxy]-4-oxobut-2-enoic acid
CID 162510635
[3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-yl] tetradecanoate
CID 163393164
1-[2-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-2-methylpropan-1-one;hydrochloride
CID 138398535
1-[2-[di(propan-2-yl)amino]ethyl]pyrrole-2-carboxylic acid
CID 43477084
1-[2-[ethyl(methyl)amino]propyl]indolizin-8-ol
CID 169202967
8-methoxyindolizine-1-carboxylic acid
CID 169203127
2-indolizin-1-yl-N,N-dimethylethanamine;oxalic acid
CID 175928766
2-amino-1-(8-methoxyindolizin-1-yl)propan-1-one
CID 169203495
[2-(2-methoxypropyl)phenyl] hydrogen carbonate
CID 90300699
N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine;hydrochloride
CID 132988764
1-[2-(dimethylamino)propyl]indolizin-8-ol
CID 169203335
bis[3-[2-[di(propan-2-yl)amino]ethyl]-1-benzofuran-4-yl] 2,2,4,4,7,7,9,9-octamethyldecanedioate
CID 168960174

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).