N-methyl-2-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)ethanamine

C12H20N2 — CID 70591677

IUPACN-methyl-2-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)ethanamine
SMILESCNCCC1C2=C(C=CC1C)CCN2
InChIInChI=1S/C12H20N2/c1-9-3-4-10-5-8-14-12(10)11(9)6-7-13-2/h3-4,9,11,13-14H,5-8H2,1-2H3
InChIKeyGWOLHBXOTWJZBX-UHFFFAOYSA-N
MW192.31 g/mol
LogP1.67
Rot. Bonds3

About N-methyl-2-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)ethanamine

N-methyl-2-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)ethanamine (PubChem CID 70591677) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is N-methyl-2-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)ethanamine
PubChem CID70591677
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC NameN-methyl-2-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)ethanamine
SMILESCNCCC1C2=C(C=CC1C)CCN2
InChIInChI=1S/C12H20N2/c1-9-3-4-10-5-8-14-12(10)11(9)6-7-13-2/h3-4,9,11,13-14H,5-8H2,1-2H3
InChIKeyGWOLHBXOTWJZBX-UHFFFAOYSA-N
XLogP1.67
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)ethanamine?
The IUPAC name of N-methyl-2-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)ethanamine (CID 70591677) is N-methyl-2-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)ethanamine?
The canonical SMILES for N-methyl-2-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)ethanamine is CNCCC1C2=C(C=CC1C)CCN2.
What is the InChIKey of N-methyl-2-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)ethanamine?
The InChIKey is GWOLHBXOTWJZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-9-3-4-10-5-8-14-12(10)11(9)6-7-13-2/h3-4,9,11,13-14H,5-8H2,1-2H3.
What are the key properties of N-methyl-2-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)ethanamine?
N-methyl-2-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)ethanamine has a molecular weight of 192.31 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)ethanamine is sourced from PubChem (CID 70591677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).