(5-ethyl-1-methylindol-3-yl)methanamine

C12H16N2 — CID 82490826

IUPAC(5-ethyl-1-methylindol-3-yl)methanamine
SMILESCCc1ccc2c(c1)c(CN)cn2C
InChIInChI=1S/C12H16N2/c1-3-9-4-5-12-11(6-9)10(7-13)8-14(12)2/h4-6,8H,3,7,13H2,1-2H3
InChIKeySBAYGGQTUQLXHH-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.20
Rot. Bonds2

About (5-ethyl-1-methylindol-3-yl)methanamine

(5-ethyl-1-methylindol-3-yl)methanamine (PubChem CID 82490826) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is (5-ethyl-1-methylindol-3-yl)methanamine.

Molecular Properties

Compound Name(5-ethyl-1-methylindol-3-yl)methanamine
PubChem CID82490826
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name(5-ethyl-1-methylindol-3-yl)methanamine
SMILESCCc1ccc2c(c1)c(CN)cn2C
InChIInChI=1S/C12H16N2/c1-3-9-4-5-12-11(6-9)10(7-13)8-14(12)2/h4-6,8H,3,7,13H2,1-2H3
InChIKeySBAYGGQTUQLXHH-UHFFFAOYSA-N
XLogP2.20
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-ethyl-1-methylindol-3-yl)methanamine?
The IUPAC name of (5-ethyl-1-methylindol-3-yl)methanamine (CID 82490826) is (5-ethyl-1-methylindol-3-yl)methanamine.
What is the SMILES notation for (5-ethyl-1-methylindol-3-yl)methanamine?
The canonical SMILES for (5-ethyl-1-methylindol-3-yl)methanamine is CCc1ccc2c(c1)c(CN)cn2C.
What is the InChIKey of (5-ethyl-1-methylindol-3-yl)methanamine?
The InChIKey is SBAYGGQTUQLXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-3-9-4-5-12-11(6-9)10(7-13)8-14(12)2/h4-6,8H,3,7,13H2,1-2H3.
What are the key properties of (5-ethyl-1-methylindol-3-yl)methanamine?
(5-ethyl-1-methylindol-3-yl)methanamine has a molecular weight of 188.27 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-1-methylindol-3-yl)methanamine is sourced from PubChem (CID 82490826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).