2-(7-ethyl-1-methylindol-3-yl)-3-methylbutan-1-amine

C16H24N2 — CID 82497776

IUPAC2-(7-ethyl-1-methylindol-3-yl)-3-methylbutan-1-amine
SMILESCCc1cccc2c(C(CN)C(C)C)cn(C)c12
InChIInChI=1S/C16H24N2/c1-5-12-7-6-8-13-15(10-18(4)16(12)13)14(9-17)11(2)3/h6-8,10-11,14H,5,9,17H2,1-4H3
InChIKeyJAGOJJFPIRFLHI-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.44
Rot. Bonds4

About 2-(7-ethyl-1-methylindol-3-yl)-3-methylbutan-1-amine

2-(7-ethyl-1-methylindol-3-yl)-3-methylbutan-1-amine (PubChem CID 82497776) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-(7-ethyl-1-methylindol-3-yl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-(7-ethyl-1-methylindol-3-yl)-3-methylbutan-1-amine
PubChem CID82497776
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name2-(7-ethyl-1-methylindol-3-yl)-3-methylbutan-1-amine
SMILESCCc1cccc2c(C(CN)C(C)C)cn(C)c12
InChIInChI=1S/C16H24N2/c1-5-12-7-6-8-13-15(10-18(4)16(12)13)14(9-17)11(2)3/h6-8,10-11,14H,5,9,17H2,1-4H3
InChIKeyJAGOJJFPIRFLHI-UHFFFAOYSA-N
XLogP3.44
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(7-ethyl-1-methylindol-3-yl)-3-methylbutan-1-amine?
The IUPAC name of 2-(7-ethyl-1-methylindol-3-yl)-3-methylbutan-1-amine (CID 82497776) is 2-(7-ethyl-1-methylindol-3-yl)-3-methylbutan-1-amine.
What is the SMILES notation for 2-(7-ethyl-1-methylindol-3-yl)-3-methylbutan-1-amine?
The canonical SMILES for 2-(7-ethyl-1-methylindol-3-yl)-3-methylbutan-1-amine is CCc1cccc2c(C(CN)C(C)C)cn(C)c12.
What is the InChIKey of 2-(7-ethyl-1-methylindol-3-yl)-3-methylbutan-1-amine?
The InChIKey is JAGOJJFPIRFLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-5-12-7-6-8-13-15(10-18(4)16(12)13)14(9-17)11(2)3/h6-8,10-11,14H,5,9,17H2,1-4H3.
What are the key properties of 2-(7-ethyl-1-methylindol-3-yl)-3-methylbutan-1-amine?
2-(7-ethyl-1-methylindol-3-yl)-3-methylbutan-1-amine has a molecular weight of 244.38 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-ethyl-1-methylindol-3-yl)-3-methylbutan-1-amine is sourced from PubChem (CID 82497776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).