ethane;2-methyl-4,5,6,7-tetrahydro-3H-indole

C13H25N — CID 91079441

IUPACethane;2-methyl-4,5,6,7-tetrahydro-3H-indole
SMILESCC.CC.CC1=NC2=C(CCCC2)C1
InChIInChI=1S/C9H13N.2C2H6/c1-7-6-8-4-2-3-5-9(8)10-7;2*1-2/h2-6H2,1H3;2*1-2H3
InChIKeyFAZWQRIOROYXSQ-UHFFFAOYSA-N
MW195.35 g/mol
LogP4.73
Rot. Bonds

About ethane;2-methyl-4,5,6,7-tetrahydro-3H-indole

ethane;2-methyl-4,5,6,7-tetrahydro-3H-indole (PubChem CID 91079441) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is ethane;2-methyl-4,5,6,7-tetrahydro-3H-indole.

Molecular Properties

Compound Nameethane;2-methyl-4,5,6,7-tetrahydro-3H-indole
PubChem CID91079441
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Nameethane;2-methyl-4,5,6,7-tetrahydro-3H-indole
SMILESCC.CC.CC1=NC2=C(CCCC2)C1
InChIInChI=1S/C9H13N.2C2H6/c1-7-6-8-4-2-3-5-9(8)10-7;2*1-2/h2-6H2,1H3;2*1-2H3
InChIKeyFAZWQRIOROYXSQ-UHFFFAOYSA-N
XLogP4.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-4,5,6,7-tetrahydro-3H-indole?
The IUPAC name of ethane;2-methyl-4,5,6,7-tetrahydro-3H-indole (CID 91079441) is ethane;2-methyl-4,5,6,7-tetrahydro-3H-indole.
What is the SMILES notation for ethane;2-methyl-4,5,6,7-tetrahydro-3H-indole?
The canonical SMILES for ethane;2-methyl-4,5,6,7-tetrahydro-3H-indole is CC.CC.CC1=NC2=C(CCCC2)C1.
What is the InChIKey of ethane;2-methyl-4,5,6,7-tetrahydro-3H-indole?
The InChIKey is FAZWQRIOROYXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N.2C2H6/c1-7-6-8-4-2-3-5-9(8)10-7;2*1-2/h2-6H2,1H3;2*1-2H3.
What are the key properties of ethane;2-methyl-4,5,6,7-tetrahydro-3H-indole?
ethane;2-methyl-4,5,6,7-tetrahydro-3H-indole has a molecular weight of 195.35 g/mol, XLogP of 4.73, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-4,5,6,7-tetrahydro-3H-indole is sourced from PubChem (CID 91079441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).