1-ethyl-6,6-dimethyl-2,3,7,8-tetrahydrocyclopenta[g]indole

C15H21N — CID 170039311

IUPAC1-ethyl-6,6-dimethyl-2,3,7,8-tetrahydrocyclopenta[g]indole
SMILESCCN1CCc2ccc3c(c21)CCC3(C)C
InChIInChI=1S/C15H21N/c1-4-16-10-8-11-5-6-13-12(14(11)16)7-9-15(13,2)3/h5-6H,4,7-10H2,1-3H3
InChIKeyDBTCGHMTSGBEFT-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.29
Rot. Bonds1

About 1-ethyl-6,6-dimethyl-2,3,7,8-tetrahydrocyclopenta[g]indole

1-ethyl-6,6-dimethyl-2,3,7,8-tetrahydrocyclopenta[g]indole (PubChem CID 170039311) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-ethyl-6,6-dimethyl-2,3,7,8-tetrahydrocyclopenta[g]indole.

Molecular Properties

Compound Name1-ethyl-6,6-dimethyl-2,3,7,8-tetrahydrocyclopenta[g]indole
PubChem CID170039311
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name1-ethyl-6,6-dimethyl-2,3,7,8-tetrahydrocyclopenta[g]indole
SMILESCCN1CCc2ccc3c(c21)CCC3(C)C
InChIInChI=1S/C15H21N/c1-4-16-10-8-11-5-6-13-12(14(11)16)7-9-15(13,2)3/h5-6H,4,7-10H2,1-3H3
InChIKeyDBTCGHMTSGBEFT-UHFFFAOYSA-N
XLogP3.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6,6-dimethyl-2,3,7,8-tetrahydrocyclopenta[g]indole?
The IUPAC name of 1-ethyl-6,6-dimethyl-2,3,7,8-tetrahydrocyclopenta[g]indole (CID 170039311) is 1-ethyl-6,6-dimethyl-2,3,7,8-tetrahydrocyclopenta[g]indole.
What is the SMILES notation for 1-ethyl-6,6-dimethyl-2,3,7,8-tetrahydrocyclopenta[g]indole?
The canonical SMILES for 1-ethyl-6,6-dimethyl-2,3,7,8-tetrahydrocyclopenta[g]indole is CCN1CCc2ccc3c(c21)CCC3(C)C.
What is the InChIKey of 1-ethyl-6,6-dimethyl-2,3,7,8-tetrahydrocyclopenta[g]indole?
The InChIKey is DBTCGHMTSGBEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-4-16-10-8-11-5-6-13-12(14(11)16)7-9-15(13,2)3/h5-6H,4,7-10H2,1-3H3.
What are the key properties of 1-ethyl-6,6-dimethyl-2,3,7,8-tetrahydrocyclopenta[g]indole?
1-ethyl-6,6-dimethyl-2,3,7,8-tetrahydrocyclopenta[g]indole has a molecular weight of 215.34 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6,6-dimethyl-2,3,7,8-tetrahydrocyclopenta[g]indole is sourced from PubChem (CID 170039311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).