2-methyl-2,3,3a,7a-tetrahydroindol-1-amine

C9H14N2 — CID 89400259

IUPAC2-methyl-2,3,3a,7a-tetrahydroindol-1-amine
SMILESCC1CC2C=CC=CC2N1N
InChIInChI=1S/C9H14N2/c1-7-6-8-4-2-3-5-9(8)11(7)10/h2-5,7-9H,6,10H2,1H3
InChIKeyWVAGEDRSFAFWKS-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.07
Rot. Bonds

About 2-methyl-2,3,3a,7a-tetrahydroindol-1-amine

2-methyl-2,3,3a,7a-tetrahydroindol-1-amine (PubChem CID 89400259) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 2-methyl-2,3,3a,7a-tetrahydroindol-1-amine.

Molecular Properties

Compound Name2-methyl-2,3,3a,7a-tetrahydroindol-1-amine
PubChem CID89400259
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name2-methyl-2,3,3a,7a-tetrahydroindol-1-amine
SMILESCC1CC2C=CC=CC2N1N
InChIInChI=1S/C9H14N2/c1-7-6-8-4-2-3-5-9(8)11(7)10/h2-5,7-9H,6,10H2,1H3
InChIKeyWVAGEDRSFAFWKS-UHFFFAOYSA-N
XLogP1.07
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

Analyze 2-methyl-2,3,3a,7a-tetrahydroindol-1-amine 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 2-methyl-2,3,3a,7a-tetrahydroindol-1-amine?
The IUPAC name of 2-methyl-2,3,3a,7a-tetrahydroindol-1-amine (CID 89400259) is 2-methyl-2,3,3a,7a-tetrahydroindol-1-amine.
What is the SMILES notation for 2-methyl-2,3,3a,7a-tetrahydroindol-1-amine?
The canonical SMILES for 2-methyl-2,3,3a,7a-tetrahydroindol-1-amine is CC1CC2C=CC=CC2N1N.
What is the InChIKey of 2-methyl-2,3,3a,7a-tetrahydroindol-1-amine?
The InChIKey is WVAGEDRSFAFWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-7-6-8-4-2-3-5-9(8)11(7)10/h2-5,7-9H,6,10H2,1H3.
What are the key properties of 2-methyl-2,3,3a,7a-tetrahydroindol-1-amine?
2-methyl-2,3,3a,7a-tetrahydroindol-1-amine has a molecular weight of 150.22 g/mol, XLogP of 1.07, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2,3,3a,7a-tetrahydroindol-1-amine is sourced from PubChem (CID 89400259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).