ethane;2-ethyl-6-methyl-3a,7a-dihydro-3H-indole

C13H21N — CID 142020170

IUPACethane;2-ethyl-6-methyl-3a,7a-dihydro-3H-indole
SMILESCC.CCC1=NC2C=C(C)C=CC2C1
InChIInChI=1S/C11H15N.C2H6/c1-3-10-7-9-5-4-8(2)6-11(9)12-10;1-2/h4-6,9,11H,3,7H2,1-2H3;1-2H3
InChIKeyVIYQWVLLNKMBID-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.77
Rot. Bonds1

About ethane;2-ethyl-6-methyl-3a,7a-dihydro-3H-indole

ethane;2-ethyl-6-methyl-3a,7a-dihydro-3H-indole (PubChem CID 142020170) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is ethane;2-ethyl-6-methyl-3a,7a-dihydro-3H-indole.

Molecular Properties

Compound Nameethane;2-ethyl-6-methyl-3a,7a-dihydro-3H-indole
PubChem CID142020170
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Nameethane;2-ethyl-6-methyl-3a,7a-dihydro-3H-indole
SMILESCC.CCC1=NC2C=C(C)C=CC2C1
InChIInChI=1S/C11H15N.C2H6/c1-3-10-7-9-5-4-8(2)6-11(9)12-10;1-2/h4-6,9,11H,3,7H2,1-2H3;1-2H3
InChIKeyVIYQWVLLNKMBID-UHFFFAOYSA-N
XLogP3.77
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze ethane;2-ethyl-6-methyl-3a,7a-dihydro-3H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 6445873
CID 6445873
2H-1-Pyridine, 5-(1-butenyl)-3,4,6,7-tetrahydro-3-methyl-, hydrochloride, (E)-(+)-
CID 6445872
16-Azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,7,9(16),10,13-hexaene
CID 90903463
9-Fluoro-2,7-dimethyl-3,4,4a,5,6,10a-hexahydrocycloocta[b]pyridine
CID 123688718
(2S)-2-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-5-propan-2-yl-3,4-dihydro-2H-pyrrole
CID 167026133
(2S)-5-cyclopropyl-2-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-3,4-dihydro-2H-pyrrole
CID 167026383
(4Z,9Z)-2-methyl-3,3a,6,7,8,10a-hexahydrocyclonona[b]pyrrole
CID 11298264
(3aR,4Z,9Z,10aS)-2-methyl-3,3a,6,7,8,10a-hexahydrocyclonona[b]pyrrole
CID 102274163
5-methyl-2-(6-methylhept-5-en-2-yl)-3,4-dihydro-2H-pyrrole
CID 102519273
(2R)-5-methyl-2-(6-methylhept-5-en-2-yl)-3,4-dihydro-2H-pyrrole
CID 155937170
5-[(E)-but-1-enyl]-3-methyl-3,4,6,7-tetrahydro-2H-cyclopenta[b]pyridine
CID 162980508
2,3,3-Trimethyl-3a,7a-dihydroindole
CID 17797756

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-6-methyl-3a,7a-dihydro-3H-indole?
The IUPAC name of ethane;2-ethyl-6-methyl-3a,7a-dihydro-3H-indole (CID 142020170) is ethane;2-ethyl-6-methyl-3a,7a-dihydro-3H-indole.
What is the SMILES notation for ethane;2-ethyl-6-methyl-3a,7a-dihydro-3H-indole?
The canonical SMILES for ethane;2-ethyl-6-methyl-3a,7a-dihydro-3H-indole is CC.CCC1=NC2C=C(C)C=CC2C1.
What is the InChIKey of ethane;2-ethyl-6-methyl-3a,7a-dihydro-3H-indole?
The InChIKey is VIYQWVLLNKMBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N.C2H6/c1-3-10-7-9-5-4-8(2)6-11(9)12-10;1-2/h4-6,9,11H,3,7H2,1-2H3;1-2H3.
What are the key properties of ethane;2-ethyl-6-methyl-3a,7a-dihydro-3H-indole?
ethane;2-ethyl-6-methyl-3a,7a-dihydro-3H-indole has a molecular weight of 191.32 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-6-methyl-3a,7a-dihydro-3H-indole is sourced from PubChem (CID 142020170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).