5-cyclopropyl-2,3-dihydro-1H-inden-4-amine

C12H15N — CID 162394390

IUPAC5-cyclopropyl-2,3-dihydro-1H-inden-4-amine
SMILESNc1c(C2CC2)ccc2c1CCC2
InChIInChI=1S/C12H15N/c13-12-10-3-1-2-8(10)6-7-11(12)9-4-5-9/h6-7,9H,1-5,13H2
InChIKeyRMRSEGZEKUVJIJ-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.63
Rot. Bonds1

About 5-cyclopropyl-2,3-dihydro-1H-inden-4-amine

5-cyclopropyl-2,3-dihydro-1H-inden-4-amine (PubChem CID 162394390) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 5-cyclopropyl-2,3-dihydro-1H-inden-4-amine.

Molecular Properties

Compound Name5-cyclopropyl-2,3-dihydro-1H-inden-4-amine
PubChem CID162394390
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name5-cyclopropyl-2,3-dihydro-1H-inden-4-amine
SMILESNc1c(C2CC2)ccc2c1CCC2
InChIInChI=1S/C12H15N/c13-12-10-3-1-2-8(10)6-7-11(12)9-4-5-9/h6-7,9H,1-5,13H2
InChIKeyRMRSEGZEKUVJIJ-UHFFFAOYSA-N
XLogP2.63
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2,3-dihydro-1H-inden-4-amine?
The IUPAC name of 5-cyclopropyl-2,3-dihydro-1H-inden-4-amine (CID 162394390) is 5-cyclopropyl-2,3-dihydro-1H-inden-4-amine.
What is the SMILES notation for 5-cyclopropyl-2,3-dihydro-1H-inden-4-amine?
The canonical SMILES for 5-cyclopropyl-2,3-dihydro-1H-inden-4-amine is Nc1c(C2CC2)ccc2c1CCC2.
What is the InChIKey of 5-cyclopropyl-2,3-dihydro-1H-inden-4-amine?
The InChIKey is RMRSEGZEKUVJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c13-12-10-3-1-2-8(10)6-7-11(12)9-4-5-9/h6-7,9H,1-5,13H2.
What are the key properties of 5-cyclopropyl-2,3-dihydro-1H-inden-4-amine?
5-cyclopropyl-2,3-dihydro-1H-inden-4-amine has a molecular weight of 173.26 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2,3-dihydro-1H-inden-4-amine is sourced from PubChem (CID 162394390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).