4'-(2-methylbutan-2-yl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclohexane]

C21H30N2 — CID 2415714

IUPAC4'-(2-methylbutan-2-yl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclohexane]
SMILESCCC(C)(C)C1CCC2(CC1)NCCc1c2[nH]c2ccccc12
InChIInChI=1S/C21H30N2/c1-4-20(2,3)15-9-12-21(13-10-15)19-17(11-14-22-21)16-7-5-6-8-18(16)23-19/h5-8,15,22-23H,4,9-14H2,1-3H3
InChIKeyTVFUAUXNPUYSBN-UHFFFAOYSA-N
MW310.48 g/mol
LogP5.14
Rot. Bonds2

About 4'-(2-methylbutan-2-yl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclohexane]

4'-(2-methylbutan-2-yl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclohexane] (PubChem CID 2415714) has the molecular formula C21H30N2 and a molecular weight of 310.48 g/mol. Its IUPAC name is 4'-(2-methylbutan-2-yl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclohexane].

Molecular Properties

Compound Name4'-(2-methylbutan-2-yl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclohexane]
PubChem CID2415714
Molecular FormulaC21H30N2
Molecular Weight310.48 g/mol
Exact Mass310.24
IUPAC Name4'-(2-methylbutan-2-yl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclohexane]
SMILESCCC(C)(C)C1CCC2(CC1)NCCc1c2[nH]c2ccccc12
InChIInChI=1S/C21H30N2/c1-4-20(2,3)15-9-12-21(13-10-15)19-17(11-14-22-21)16-7-5-6-8-18(16)23-19/h5-8,15,22-23H,4,9-14H2,1-3H3
InChIKeyTVFUAUXNPUYSBN-UHFFFAOYSA-N
XLogP5.14
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.48
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 4'-(2-methylbutan-2-yl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclohexane] with MolForge

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Related Compounds

spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cycloheptane]
CID 10083666
spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-thiane]
CID 10332756
(1S,3'S)-3'-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclohexane]
CID 39902695
2,2-dimethyl-1-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylpropan-1-one
CID 110197708
2-ethoxy-1-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylethanone
CID 110197533
(1R)-1-iodo-1-methyl-2,3,4,9-tetrahydropyrido[3,4-b]indole
CID 71178701
6-methyl-4'-phenylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cycloheptane]
CID 142894035
1'-(3-phenoxypropyl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]
CID 126472040
tert-butyl-[[1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]methoxy]-dimethylsilane
CID 175879387
(1-ethylpyrazol-3-yl)-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone
CID 110197556
3-ethyl-3-methyl-2,4-dihydro-1H-cyclopenta[b]indole
CID 45098939
(4R)-4-(2-chlorophenyl)-4'-(2-methylbutan-2-yl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indol-2-ium-1,1'-cyclohexane]
CID 2405413

Frequently Asked Questions

What is the IUPAC name of 4'-(2-methylbutan-2-yl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclohexane]?
The IUPAC name of 4'-(2-methylbutan-2-yl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclohexane] (CID 2415714) is 4'-(2-methylbutan-2-yl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclohexane].
What is the SMILES notation for 4'-(2-methylbutan-2-yl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclohexane]?
The canonical SMILES for 4'-(2-methylbutan-2-yl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclohexane] is CCC(C)(C)C1CCC2(CC1)NCCc1c2[nH]c2ccccc12.
What is the InChIKey of 4'-(2-methylbutan-2-yl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclohexane]?
The InChIKey is TVFUAUXNPUYSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2/c1-4-20(2,3)15-9-12-21(13-10-15)19-17(11-14-22-21)16-7-5-6-8-18(16)23-19/h5-8,15,22-23H,4,9-14H2,1-3H3.
What are the key properties of 4'-(2-methylbutan-2-yl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclohexane]?
4'-(2-methylbutan-2-yl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclohexane] has a molecular weight of 310.48 g/mol, XLogP of 5.14, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-(2-methylbutan-2-yl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclohexane] is sourced from PubChem (CID 2415714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).