1-tert-butyl-2-cyclohexylindolizine

C18H25N — CID 58787383

IUPAC1-tert-butyl-2-cyclohexylindolizine
SMILESCC(C)(C)c1c(C2CCCCC2)cn2ccccc12
InChIInChI=1S/C18H25N/c1-18(2,3)17-15(14-9-5-4-6-10-14)13-19-12-8-7-11-16(17)19/h7-8,11-14H,4-6,9-10H2,1-3H3
InChIKeyHZHHQHMOEVJOCL-UHFFFAOYSA-N
MW255.41 g/mol
LogP5.28
Rot. Bonds1

About 1-tert-butyl-2-cyclohexylindolizine

1-tert-butyl-2-cyclohexylindolizine (PubChem CID 58787383) has the molecular formula C18H25N and a molecular weight of 255.41 g/mol. Its IUPAC name is 1-tert-butyl-2-cyclohexylindolizine.

Molecular Properties

Compound Name1-tert-butyl-2-cyclohexylindolizine
PubChem CID58787383
Molecular FormulaC18H25N
Molecular Weight255.41 g/mol
Exact Mass255.20
IUPAC Name1-tert-butyl-2-cyclohexylindolizine
SMILESCC(C)(C)c1c(C2CCCCC2)cn2ccccc12
InChIInChI=1S/C18H25N/c1-18(2,3)17-15(14-9-5-4-6-10-14)13-19-12-8-7-11-16(17)19/h7-8,11-14H,4-6,9-10H2,1-3H3
InChIKeyHZHHQHMOEVJOCL-UHFFFAOYSA-N
XLogP5.28
TPSA4.41 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500255.41
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-cyclohexylindolizine?
The IUPAC name of 1-tert-butyl-2-cyclohexylindolizine (CID 58787383) is 1-tert-butyl-2-cyclohexylindolizine.
What is the SMILES notation for 1-tert-butyl-2-cyclohexylindolizine?
The canonical SMILES for 1-tert-butyl-2-cyclohexylindolizine is CC(C)(C)c1c(C2CCCCC2)cn2ccccc12.
What is the InChIKey of 1-tert-butyl-2-cyclohexylindolizine?
The InChIKey is HZHHQHMOEVJOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N/c1-18(2,3)17-15(14-9-5-4-6-10-14)13-19-12-8-7-11-16(17)19/h7-8,11-14H,4-6,9-10H2,1-3H3.
What are the key properties of 1-tert-butyl-2-cyclohexylindolizine?
1-tert-butyl-2-cyclohexylindolizine has a molecular weight of 255.41 g/mol, XLogP of 5.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-cyclohexylindolizine is sourced from PubChem (CID 58787383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).