ethane;1'-(2,3,3-trimethylbutan-2-yl)spiro[fluorene-9,4'-piperidine]

C28H43N — CID 90809338

IUPACethane;1'-(2,3,3-trimethylbutan-2-yl)spiro[fluorene-9,4'-piperidine]
SMILESCC.CC.CC(C)(C)C(C)(C)N1CCC2(CC1)c1ccccc1-c1ccccc12
InChIInChI=1S/C24H31N.2C2H6/c1-22(2,3)23(4,5)25-16-14-24(15-17-25)20-12-8-6-10-18(20)19-11-7-9-13-21(19)24;2*1-2/h6-13H,14-17H2,1-5H3;2*1-2H3
InChIKeyHONBACJWPCCLNK-UHFFFAOYSA-N
MW393.66 g/mol
LogP7.93
Rot. Bonds1

About ethane;1'-(2,3,3-trimethylbutan-2-yl)spiro[fluorene-9,4'-piperidine]

ethane;1'-(2,3,3-trimethylbutan-2-yl)spiro[fluorene-9,4'-piperidine] (PubChem CID 90809338) has the molecular formula C28H43N and a molecular weight of 393.66 g/mol. Its IUPAC name is ethane;1'-(2,3,3-trimethylbutan-2-yl)spiro[fluorene-9,4'-piperidine].

Molecular Properties

Compound Nameethane;1'-(2,3,3-trimethylbutan-2-yl)spiro[fluorene-9,4'-piperidine]
PubChem CID90809338
Molecular FormulaC28H43N
Molecular Weight393.66 g/mol
Exact Mass393.34
IUPAC Nameethane;1'-(2,3,3-trimethylbutan-2-yl)spiro[fluorene-9,4'-piperidine]
SMILESCC.CC.CC(C)(C)C(C)(C)N1CCC2(CC1)c1ccccc1-c1ccccc12
InChIInChI=1S/C24H31N.2C2H6/c1-22(2,3)23(4,5)25-16-14-24(15-17-25)20-12-8-6-10-18(20)19-11-7-9-13-21(19)24;2*1-2/h6-13H,14-17H2,1-5H3;2*1-2H3
InChIKeyHONBACJWPCCLNK-UHFFFAOYSA-N
XLogP7.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.66
LogP ≤ 57.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;1'-(2,3,3-trimethylbutan-2-yl)spiro[fluorene-9,4'-piperidine]?
The IUPAC name of ethane;1'-(2,3,3-trimethylbutan-2-yl)spiro[fluorene-9,4'-piperidine] (CID 90809338) is ethane;1'-(2,3,3-trimethylbutan-2-yl)spiro[fluorene-9,4'-piperidine].
What is the SMILES notation for ethane;1'-(2,3,3-trimethylbutan-2-yl)spiro[fluorene-9,4'-piperidine]?
The canonical SMILES for ethane;1'-(2,3,3-trimethylbutan-2-yl)spiro[fluorene-9,4'-piperidine] is CC.CC.CC(C)(C)C(C)(C)N1CCC2(CC1)c1ccccc1-c1ccccc12.
What is the InChIKey of ethane;1'-(2,3,3-trimethylbutan-2-yl)spiro[fluorene-9,4'-piperidine]?
The InChIKey is HONBACJWPCCLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N.2C2H6/c1-22(2,3)23(4,5)25-16-14-24(15-17-25)20-12-8-6-10-18(20)19-11-7-9-13-21(19)24;2*1-2/h6-13H,14-17H2,1-5H3;2*1-2H3.
What are the key properties of ethane;1'-(2,3,3-trimethylbutan-2-yl)spiro[fluorene-9,4'-piperidine]?
ethane;1'-(2,3,3-trimethylbutan-2-yl)spiro[fluorene-9,4'-piperidine] has a molecular weight of 393.66 g/mol, XLogP of 7.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1'-(2,3,3-trimethylbutan-2-yl)spiro[fluorene-9,4'-piperidine] is sourced from PubChem (CID 90809338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).