3-ethyl-1H-indole;methanamine

C11H16N2 — CID 142222050

IUPAC3-ethyl-1H-indole;methanamine
SMILESCCc1c[nH]c2ccccc12.CN
InChIInChI=1S/C10H11N.CH5N/c1-2-8-7-11-10-6-4-3-5-9(8)10;1-2/h3-7,11H,2H2,1H3;2H2,1H3
InChIKeyOZVOUSZYVGBJIP-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.31
Rot. Bonds1

About 3-ethyl-1H-indole;methanamine

3-ethyl-1H-indole;methanamine (PubChem CID 142222050) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 3-ethyl-1H-indole;methanamine.

Molecular Properties

Compound Name3-ethyl-1H-indole;methanamine
PubChem CID142222050
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name3-ethyl-1H-indole;methanamine
SMILESCCc1c[nH]c2ccccc12.CN
InChIInChI=1S/C10H11N.CH5N/c1-2-8-7-11-10-6-4-3-5-9(8)10;1-2/h3-7,11H,2H2,1H3;2H2,1H3
InChIKeyOZVOUSZYVGBJIP-UHFFFAOYSA-N
XLogP2.31
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethyl-1H-quinolin-4-one
CID 10374897
1H-indol-3-ylmethanamine;hydrochloride
CID 52986033
1-(1H-indol-3-yl)butan-2-amine
CID 8367
3-heptyl-1H-indole
CID 15360907
N-(1H-indol-3-ylmethyl)-N-methylpropan-1-amine
CID 142231865
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
CID 135044640
CID 135044640
3-ethyl-1H-indole;1H-pyrazole-5-carboxylic acid
CID 157088032
(2S)-2-(1H-indol-3-ylmethyl)butanamide
CID 155450153
1-(1H-indol-3-yl)propan-2-amine;dihydrochloride
CID 141487070
1-(1H-indol-3-yl)hexan-3-one
CID 166814803
acetic acid;2-(1H-indol-3-yl)ethanamine
CID 57357905

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1H-indole;methanamine?
The IUPAC name of 3-ethyl-1H-indole;methanamine (CID 142222050) is 3-ethyl-1H-indole;methanamine.
What is the SMILES notation for 3-ethyl-1H-indole;methanamine?
The canonical SMILES for 3-ethyl-1H-indole;methanamine is CCc1c[nH]c2ccccc12.CN.
What is the InChIKey of 3-ethyl-1H-indole;methanamine?
The InChIKey is OZVOUSZYVGBJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N.CH5N/c1-2-8-7-11-10-6-4-3-5-9(8)10;1-2/h3-7,11H,2H2,1H3;2H2,1H3.
What are the key properties of 3-ethyl-1H-indole;methanamine?
3-ethyl-1H-indole;methanamine has a molecular weight of 176.26 g/mol, XLogP of 2.31, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1H-indole;methanamine is sourced from PubChem (CID 142222050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).