7-cyclopropyl-1H-inden-5-amine

C12H13N — CID 148538839

IUPAC7-cyclopropyl-1H-inden-5-amine
SMILESNc1cc2c(c(C3CC3)c1)CC=C2
InChIInChI=1S/C12H13N/c13-10-6-9-2-1-3-11(9)12(7-10)8-4-5-8/h1-2,6-8H,3-5,13H2
InChIKeyMRTKXKCFCJOACX-UHFFFAOYSA-N
MW171.24 g/mol
LogP2.72
Rot. Bonds1

About 7-cyclopropyl-1H-inden-5-amine

7-cyclopropyl-1H-inden-5-amine (PubChem CID 148538839) has the molecular formula C12H13N and a molecular weight of 171.24 g/mol. Its IUPAC name is 7-cyclopropyl-1H-inden-5-amine.

Molecular Properties

Compound Name7-cyclopropyl-1H-inden-5-amine
PubChem CID148538839
Molecular FormulaC12H13N
Molecular Weight171.24 g/mol
Exact Mass171.10
IUPAC Name7-cyclopropyl-1H-inden-5-amine
SMILESNc1cc2c(c(C3CC3)c1)CC=C2
InChIInChI=1S/C12H13N/c13-10-6-9-2-1-3-11(9)12(7-10)8-4-5-8/h1-2,6-8H,3-5,13H2
InChIKeyMRTKXKCFCJOACX-UHFFFAOYSA-N
XLogP2.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 7-cyclopropyl-1H-inden-5-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 7-cyclopropyl-1H-inden-5-amine?
The IUPAC name of 7-cyclopropyl-1H-inden-5-amine (CID 148538839) is 7-cyclopropyl-1H-inden-5-amine.
What is the SMILES notation for 7-cyclopropyl-1H-inden-5-amine?
The canonical SMILES for 7-cyclopropyl-1H-inden-5-amine is Nc1cc2c(c(C3CC3)c1)CC=C2.
What is the InChIKey of 7-cyclopropyl-1H-inden-5-amine?
The InChIKey is MRTKXKCFCJOACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N/c13-10-6-9-2-1-3-11(9)12(7-10)8-4-5-8/h1-2,6-8H,3-5,13H2.
What are the key properties of 7-cyclopropyl-1H-inden-5-amine?
7-cyclopropyl-1H-inden-5-amine has a molecular weight of 171.24 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-1H-inden-5-amine is sourced from PubChem (CID 148538839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).