2-methyl-1-[2-[2-[2-[2-(2-methylindolizin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]indolizine

C26H32N2O3 — CID 10598232

IUPAC2-methyl-1-[2-[2-[2-[2-(2-methylindolizin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]indolizine
SMILESCc1cn2ccccc2c1CCOCCOCCOCCc1c(C)cn2ccccc12
InChIInChI=1S/C26H32N2O3/c1-21-19-27-11-5-3-7-25(27)23(21)9-13-29-15-17-31-18-16-30-14-10-24-22(2)20-28-12-6-4-8-26(24)28/h3-8,11-12,19-20H,9-10,13-18H2,1-2H3
InChIKeyBBNGWJXBVOMXJJ-UHFFFAOYSA-N
MW420.55 g/mol
LogP4.64
Rot. Bonds12

About 2-methyl-1-[2-[2-[2-[2-(2-methylindolizin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]indolizine

2-methyl-1-[2-[2-[2-[2-(2-methylindolizin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]indolizine (PubChem CID 10598232) has the molecular formula C26H32N2O3 and a molecular weight of 420.55 g/mol. Its IUPAC name is 2-methyl-1-[2-[2-[2-[2-(2-methylindolizin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]indolizine.

Molecular Properties

Compound Name2-methyl-1-[2-[2-[2-[2-(2-methylindolizin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]indolizine
PubChem CID10598232
Molecular FormulaC26H32N2O3
Molecular Weight420.55 g/mol
Exact Mass420.24
IUPAC Name2-methyl-1-[2-[2-[2-[2-(2-methylindolizin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]indolizine
SMILESCc1cn2ccccc2c1CCOCCOCCOCCc1c(C)cn2ccccc12
InChIInChI=1S/C26H32N2O3/c1-21-19-27-11-5-3-7-25(27)23(21)9-13-29-15-17-31-18-16-30-14-10-24-22(2)20-28-12-6-4-8-26(24)28/h3-8,11-12,19-20H,9-10,13-18H2,1-2H3
InChIKeyBBNGWJXBVOMXJJ-UHFFFAOYSA-N
XLogP4.64
TPSA36.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.55
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3-((2-methyl-1,3-dioxolan-2-yl)methyl)-1H-indol-1-yl)propanenitrile
CID 657594
3-[(1,2-Dimethyl-3-indolizinyl)methyl]-1,2-dimethylindolizine
CID 1214543
(E)-1,2-bis(1,2-dimethyl-3-indolizinyl)ethene
CID 102517093
Biindolizine
CID 123620221
2-(1-Benzylindol-3-yl)ethyl acetate
CID 15202306
1-Methyl-3-(2-propoxyethyl)indole
CID 134948573
(4R)-2-[2-methyl-2-(1-methylindol-3-yl)propyl]-4-phenyl-4,5-dihydro-1,3-oxazole
CID 139254560
3-(1,3-Dioxolan-2-ylmethyl)-1-methylindole
CID 164672429
3-[1-Methoxy-2-(1-methylindol-3-yl)propan-2-yl]-1-methylindole
CID 267108
1-[2-(1,3-Dioxolan-2-yl)ethyl]-2-phenylindolizine
CID 638821
3,3'-Bis[1,2-dimethylindolizine]
CID 1215027
2-Phenyl-1-[2-[2-[2-[2-(2-phenylindolizin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]indolizine
CID 10554555

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-[2-[2-[2-(2-methylindolizin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]indolizine?
The IUPAC name of 2-methyl-1-[2-[2-[2-[2-(2-methylindolizin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]indolizine (CID 10598232) is 2-methyl-1-[2-[2-[2-[2-(2-methylindolizin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]indolizine.
What is the SMILES notation for 2-methyl-1-[2-[2-[2-[2-(2-methylindolizin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]indolizine?
The canonical SMILES for 2-methyl-1-[2-[2-[2-[2-(2-methylindolizin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]indolizine is Cc1cn2ccccc2c1CCOCCOCCOCCc1c(C)cn2ccccc12.
What is the InChIKey of 2-methyl-1-[2-[2-[2-[2-(2-methylindolizin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]indolizine?
The InChIKey is BBNGWJXBVOMXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O3/c1-21-19-27-11-5-3-7-25(27)23(21)9-13-29-15-17-31-18-16-30-14-10-24-22(2)20-28-12-6-4-8-26(24)28/h3-8,11-12,19-20H,9-10,13-18H2,1-2H3.
What are the key properties of 2-methyl-1-[2-[2-[2-[2-(2-methylindolizin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]indolizine?
2-methyl-1-[2-[2-[2-[2-(2-methylindolizin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]indolizine has a molecular weight of 420.55 g/mol, XLogP of 4.64, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-[2-[2-[2-(2-methylindolizin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]indolizine is sourced from PubChem (CID 10598232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).