8-methyl-1,2,3,4,4a,4b,5,5a,6,7,8,9,9a,9b,10,10a-hexadecahydroindeno[1,2-b]indole

C16H27N — CID 59899527

IUPAC8-methyl-1,2,3,4,4a,4b,5,5a,6,7,8,9,9a,9b,10,10a-hexadecahydroindeno[1,2-b]indole
SMILESCC1CCC2NC3C4CCCCC4CC3C2C1
InChIInChI=1S/C16H27N/c1-10-6-7-15-13(8-10)14-9-11-4-2-3-5-12(11)16(14)17-15/h10-17H,2-9H2,1H3
InChIKeyUPTNOCBQFOWUJK-UHFFFAOYSA-N
MW233.40 g/mol
LogP3.59
Rot. Bonds

About 8-methyl-1,2,3,4,4a,4b,5,5a,6,7,8,9,9a,9b,10,10a-hexadecahydroindeno[1,2-b]indole

8-methyl-1,2,3,4,4a,4b,5,5a,6,7,8,9,9a,9b,10,10a-hexadecahydroindeno[1,2-b]indole (PubChem CID 59899527) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 8-methyl-1,2,3,4,4a,4b,5,5a,6,7,8,9,9a,9b,10,10a-hexadecahydroindeno[1,2-b]indole.

Molecular Properties

Compound Name8-methyl-1,2,3,4,4a,4b,5,5a,6,7,8,9,9a,9b,10,10a-hexadecahydroindeno[1,2-b]indole
PubChem CID59899527
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name8-methyl-1,2,3,4,4a,4b,5,5a,6,7,8,9,9a,9b,10,10a-hexadecahydroindeno[1,2-b]indole
SMILESCC1CCC2NC3C4CCCCC4CC3C2C1
InChIInChI=1S/C16H27N/c1-10-6-7-15-13(8-10)14-9-11-4-2-3-5-12(11)16(14)17-15/h10-17H,2-9H2,1H3
InChIKeyUPTNOCBQFOWUJK-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-1,2,3,4,4a,4b,5,5a,6,7,8,9,9a,9b,10,10a-hexadecahydroindeno[1,2-b]indole?
The IUPAC name of 8-methyl-1,2,3,4,4a,4b,5,5a,6,7,8,9,9a,9b,10,10a-hexadecahydroindeno[1,2-b]indole (CID 59899527) is 8-methyl-1,2,3,4,4a,4b,5,5a,6,7,8,9,9a,9b,10,10a-hexadecahydroindeno[1,2-b]indole.
What is the SMILES notation for 8-methyl-1,2,3,4,4a,4b,5,5a,6,7,8,9,9a,9b,10,10a-hexadecahydroindeno[1,2-b]indole?
The canonical SMILES for 8-methyl-1,2,3,4,4a,4b,5,5a,6,7,8,9,9a,9b,10,10a-hexadecahydroindeno[1,2-b]indole is CC1CCC2NC3C4CCCCC4CC3C2C1.
What is the InChIKey of 8-methyl-1,2,3,4,4a,4b,5,5a,6,7,8,9,9a,9b,10,10a-hexadecahydroindeno[1,2-b]indole?
The InChIKey is UPTNOCBQFOWUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-10-6-7-15-13(8-10)14-9-11-4-2-3-5-12(11)16(14)17-15/h10-17H,2-9H2,1H3.
What are the key properties of 8-methyl-1,2,3,4,4a,4b,5,5a,6,7,8,9,9a,9b,10,10a-hexadecahydroindeno[1,2-b]indole?
8-methyl-1,2,3,4,4a,4b,5,5a,6,7,8,9,9a,9b,10,10a-hexadecahydroindeno[1,2-b]indole has a molecular weight of 233.40 g/mol, XLogP of 3.59, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1,2,3,4,4a,4b,5,5a,6,7,8,9,9a,9b,10,10a-hexadecahydroindeno[1,2-b]indole is sourced from PubChem (CID 59899527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).