2-cyclohexyl-2-[2-[di(propan-2-yl)amino]ethyl]indolizin-3-one;hydrate;hydrochloride

C22H37ClN2O2 — CID 70474377

IUPAC2-cyclohexyl-2-[2-[di(propan-2-yl)amino]ethyl]indolizin-3-one;hydrate;hydrochloride
SMILESCC(C)N(CCC1(C2CCCCC2)C=C2C=CC=CN2C1=O)C(C)C.Cl.O
InChIInChI=1S/C22H34N2O.ClH.H2O/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;;/h8-9,12,14,16-19H,5-7,10-11,13,15H2,1-4H3;1H;1H2
InChIKeyOUXXDFSQQPFNPF-UHFFFAOYSA-N
MW397.00 g/mol
LogP4.47
Rot. Bonds6

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

2-cyclohexyl-2-[2-[di(propan-2-yl)amino]ethyl]indolizin-3-one;hydrate;hydrochloride (PubChem CID 70474377) has the molecular formula C22H37ClN2O2 and a molecular weight of 397.00 g/mol. Its IUPAC name is 2-cyclohexyl-2-[2-[di(propan-2-yl)amino]ethyl]indolizin-3-one;hydrate;hydrochloride.

Molecular Properties

Compound Name2-cyclohexyl-2-[2-[di(propan-2-yl)amino]ethyl]indolizin-3-one;hydrate;hydrochloride
PubChem CID70474377
Molecular FormulaC22H37ClN2O2
Molecular Weight397.00 g/mol
Exact Mass396.25
IUPAC Name2-cyclohexyl-2-[2-[di(propan-2-yl)amino]ethyl]indolizin-3-one;hydrate;hydrochloride
SMILESCC(C)N(CCC1(C2CCCCC2)C=C2C=CC=CN2C1=O)C(C)C.Cl.O
InChIInChI=1S/C22H34N2O.ClH.H2O/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;;/h8-9,12,14,16-19H,5-7,10-11,13,15H2,1-4H3;1H;1H2
InChIKeyOUXXDFSQQPFNPF-UHFFFAOYSA-N
XLogP4.47
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.00
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-cyclohexyl-2-[2-[di(propan-2-yl)amino]ethyl]indolizin-3-one;hydrate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[2-(2,6-dimethylpiperidin-1-yl)ethyl]cyclohexyl]-2H-indolizin-3-one
CID 70383681
2-[2-[2-[di(propan-2-yl)amino]ethyl]cyclohexyl]-2H-indolizin-3-one
CID 70384235
2-[2-[2-[di(propan-2-yl)amino]ethyl]cyclohexyl]-2H-indolizin-3-one;hydrate;hydrochloride
CID 70386364
2-Cyclohexyl-2-[2-[di(propan-2-yl)amino]ethyl]indolizin-3-one
CID 70456900
4-[2-cyclohexyl-1-(2,2-dimethylbut-3-enoyl)-2H-pyridin-3-yl]-1-(2-cyclohexyl-2H-pyridin-1-yl)-2,2-dimethylbutan-1-one
CID 132053322
4-[(2R)-2-cyclohexyl-1-(2,2-dimethylbut-3-enoyl)-2H-pyridin-3-yl]-1-[(2R)-2-cyclohexyl-2H-pyridin-1-yl]-2,2-dimethylbutan-1-one
CID 137469837

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-[2-[di(propan-2-yl)amino]ethyl]indolizin-3-one;hydrate;hydrochloride?
The IUPAC name of 2-cyclohexyl-2-[2-[di(propan-2-yl)amino]ethyl]indolizin-3-one;hydrate;hydrochloride (CID 70474377) is 2-cyclohexyl-2-[2-[di(propan-2-yl)amino]ethyl]indolizin-3-one;hydrate;hydrochloride.
What is the SMILES notation for 2-cyclohexyl-2-[2-[di(propan-2-yl)amino]ethyl]indolizin-3-one;hydrate;hydrochloride?
The canonical SMILES for 2-cyclohexyl-2-[2-[di(propan-2-yl)amino]ethyl]indolizin-3-one;hydrate;hydrochloride is CC(C)N(CCC1(C2CCCCC2)C=C2C=CC=CN2C1=O)C(C)C.Cl.O.
What is the InChIKey of 2-cyclohexyl-2-[2-[di(propan-2-yl)amino]ethyl]indolizin-3-one;hydrate;hydrochloride?
The InChIKey is OUXXDFSQQPFNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O.ClH.H2O/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;;/h8-9,12,14,16-19H,5-7,10-11,13,15H2,1-4H3;1H;1H2.
What are the key properties of 2-cyclohexyl-2-[2-[di(propan-2-yl)amino]ethyl]indolizin-3-one;hydrate;hydrochloride?
2-cyclohexyl-2-[2-[di(propan-2-yl)amino]ethyl]indolizin-3-one;hydrate;hydrochloride has a molecular weight of 397.00 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-[2-[di(propan-2-yl)amino]ethyl]indolizin-3-one;hydrate;hydrochloride is sourced from PubChem (CID 70474377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).