4,4a,5-trimethyl-1,2,3,4,5,6,9,9a-octahydrocarbazole

C15H23N — CID 71234824

IUPAC4,4a,5-trimethyl-1,2,3,4,5,6,9,9a-octahydrocarbazole
SMILESCC1CC=CC2=C1C1(C)C(C)CCCC1N2
InChIInChI=1S/C15H23N/c1-10-6-4-8-12-14(10)15(3)11(2)7-5-9-13(15)16-12/h4,8,10-11,13,16H,5-7,9H2,1-3H3
InChIKeyLUBQIPPPJHYZTF-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.63
Rot. Bonds

About 4,4a,5-trimethyl-1,2,3,4,5,6,9,9a-octahydrocarbazole

4,4a,5-trimethyl-1,2,3,4,5,6,9,9a-octahydrocarbazole (PubChem CID 71234824) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 4,4a,5-trimethyl-1,2,3,4,5,6,9,9a-octahydrocarbazole.

Molecular Properties

Compound Name4,4a,5-trimethyl-1,2,3,4,5,6,9,9a-octahydrocarbazole
PubChem CID71234824
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name4,4a,5-trimethyl-1,2,3,4,5,6,9,9a-octahydrocarbazole
SMILESCC1CC=CC2=C1C1(C)C(C)CCCC1N2
InChIInChI=1S/C15H23N/c1-10-6-4-8-12-14(10)15(3)11(2)7-5-9-13(15)16-12/h4,8,10-11,13,16H,5-7,9H2,1-3H3
InChIKeyLUBQIPPPJHYZTF-UHFFFAOYSA-N
XLogP3.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4a,5-trimethyl-1,2,3,4,5,6,9,9a-octahydrocarbazole?
The IUPAC name of 4,4a,5-trimethyl-1,2,3,4,5,6,9,9a-octahydrocarbazole (CID 71234824) is 4,4a,5-trimethyl-1,2,3,4,5,6,9,9a-octahydrocarbazole.
What is the SMILES notation for 4,4a,5-trimethyl-1,2,3,4,5,6,9,9a-octahydrocarbazole?
The canonical SMILES for 4,4a,5-trimethyl-1,2,3,4,5,6,9,9a-octahydrocarbazole is CC1CC=CC2=C1C1(C)C(C)CCCC1N2.
What is the InChIKey of 4,4a,5-trimethyl-1,2,3,4,5,6,9,9a-octahydrocarbazole?
The InChIKey is LUBQIPPPJHYZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-10-6-4-8-12-14(10)15(3)11(2)7-5-9-13(15)16-12/h4,8,10-11,13,16H,5-7,9H2,1-3H3.
What are the key properties of 4,4a,5-trimethyl-1,2,3,4,5,6,9,9a-octahydrocarbazole?
4,4a,5-trimethyl-1,2,3,4,5,6,9,9a-octahydrocarbazole has a molecular weight of 217.36 g/mol, XLogP of 3.63, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4a,5-trimethyl-1,2,3,4,5,6,9,9a-octahydrocarbazole is sourced from PubChem (CID 71234824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).