6,6,8,9a-tetramethyl-2,3,4,4a,5,9-hexahydro-1H-carbazole

C16H25N — CID 71234789

IUPAC6,6,8,9a-tetramethyl-2,3,4,4a,5,9-hexahydro-1H-carbazole
SMILESCC1=CC(C)(C)CC2=C1NC1(C)CCCCC21
InChIInChI=1S/C16H25N/c1-11-9-15(2,3)10-12-13-7-5-6-8-16(13,4)17-14(11)12/h9,13,17H,5-8,10H2,1-4H3
InChIKeyQHHBLSCAHWOHME-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.17
Rot. Bonds

About 6,6,8,9a-tetramethyl-2,3,4,4a,5,9-hexahydro-1H-carbazole

6,6,8,9a-tetramethyl-2,3,4,4a,5,9-hexahydro-1H-carbazole (PubChem CID 71234789) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 6,6,8,9a-tetramethyl-2,3,4,4a,5,9-hexahydro-1H-carbazole.

Molecular Properties

Compound Name6,6,8,9a-tetramethyl-2,3,4,4a,5,9-hexahydro-1H-carbazole
PubChem CID71234789
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name6,6,8,9a-tetramethyl-2,3,4,4a,5,9-hexahydro-1H-carbazole
SMILESCC1=CC(C)(C)CC2=C1NC1(C)CCCCC21
InChIInChI=1S/C16H25N/c1-11-9-15(2,3)10-12-13-7-5-6-8-16(13,4)17-14(11)12/h9,13,17H,5-8,10H2,1-4H3
InChIKeyQHHBLSCAHWOHME-UHFFFAOYSA-N
XLogP4.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,6,8,9a-tetramethyl-2,3,4,4a,5,9-hexahydro-1H-carbazole?
The IUPAC name of 6,6,8,9a-tetramethyl-2,3,4,4a,5,9-hexahydro-1H-carbazole (CID 71234789) is 6,6,8,9a-tetramethyl-2,3,4,4a,5,9-hexahydro-1H-carbazole.
What is the SMILES notation for 6,6,8,9a-tetramethyl-2,3,4,4a,5,9-hexahydro-1H-carbazole?
The canonical SMILES for 6,6,8,9a-tetramethyl-2,3,4,4a,5,9-hexahydro-1H-carbazole is CC1=CC(C)(C)CC2=C1NC1(C)CCCCC21.
What is the InChIKey of 6,6,8,9a-tetramethyl-2,3,4,4a,5,9-hexahydro-1H-carbazole?
The InChIKey is QHHBLSCAHWOHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-11-9-15(2,3)10-12-13-7-5-6-8-16(13,4)17-14(11)12/h9,13,17H,5-8,10H2,1-4H3.
What are the key properties of 6,6,8,9a-tetramethyl-2,3,4,4a,5,9-hexahydro-1H-carbazole?
6,6,8,9a-tetramethyl-2,3,4,4a,5,9-hexahydro-1H-carbazole has a molecular weight of 231.38 g/mol, XLogP of 4.17, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,8,9a-tetramethyl-2,3,4,4a,5,9-hexahydro-1H-carbazole is sourced from PubChem (CID 71234789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).