1-(2,3,7,7a-tetrahydro-1H-indol-4-yl)-N-methylmethanamine

C10H16N2 — CID 118548928

IUPAC1-(2,3,7,7a-tetrahydro-1H-indol-4-yl)-N-methylmethanamine
SMILESCNCC1=C2CCNC2CC=C1
InChIInChI=1S/C10H16N2/c1-11-7-8-3-2-4-10-9(8)5-6-12-10/h2-3,10-12H,4-7H2,1H3
InChIKeyMXHODCRKTPAQEC-UHFFFAOYSA-N
MW164.25 g/mol
LogP0.82
Rot. Bonds2

About 1-(2,3,7,7a-tetrahydro-1H-indol-4-yl)-N-methylmethanamine

1-(2,3,7,7a-tetrahydro-1H-indol-4-yl)-N-methylmethanamine (PubChem CID 118548928) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 1-(2,3,7,7a-tetrahydro-1H-indol-4-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,3,7,7a-tetrahydro-1H-indol-4-yl)-N-methylmethanamine
PubChem CID118548928
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name1-(2,3,7,7a-tetrahydro-1H-indol-4-yl)-N-methylmethanamine
SMILESCNCC1=C2CCNC2CC=C1
InChIInChI=1S/C10H16N2/c1-11-7-8-3-2-4-10-9(8)5-6-12-10/h2-3,10-12H,4-7H2,1H3
InChIKeyMXHODCRKTPAQEC-UHFFFAOYSA-N
XLogP0.82
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(2,3,7,7a-tetrahydro-1H-indol-4-yl)-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,7,7a-tetrahydro-1H-indol-4-yl)-N-methylmethanamine?
The IUPAC name of 1-(2,3,7,7a-tetrahydro-1H-indol-4-yl)-N-methylmethanamine (CID 118548928) is 1-(2,3,7,7a-tetrahydro-1H-indol-4-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,3,7,7a-tetrahydro-1H-indol-4-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2,3,7,7a-tetrahydro-1H-indol-4-yl)-N-methylmethanamine is CNCC1=C2CCNC2CC=C1.
What is the InChIKey of 1-(2,3,7,7a-tetrahydro-1H-indol-4-yl)-N-methylmethanamine?
The InChIKey is MXHODCRKTPAQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-11-7-8-3-2-4-10-9(8)5-6-12-10/h2-3,10-12H,4-7H2,1H3.
What are the key properties of 1-(2,3,7,7a-tetrahydro-1H-indol-4-yl)-N-methylmethanamine?
1-(2,3,7,7a-tetrahydro-1H-indol-4-yl)-N-methylmethanamine has a molecular weight of 164.25 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,7,7a-tetrahydro-1H-indol-4-yl)-N-methylmethanamine is sourced from PubChem (CID 118548928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).