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

C11H14N2 — CID 168888894

IUPAC4-cyclopropyl-2,3-dihydro-1H-isoindol-5-amine
SMILESNc1ccc2c(c1C1CC1)CNC2
InChIInChI=1S/C11H14N2/c12-10-4-3-8-5-13-6-9(8)11(10)7-1-2-7/h3-4,7,13H,1-2,5-6,12H2
InChIKeyCUBKFWJPJLAMLO-UHFFFAOYSA-N
MW174.25 g/mol
LogP1.75
Rot. Bonds1

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

4-cyclopropyl-2,3-dihydro-1H-isoindol-5-amine (PubChem CID 168888894) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 4-cyclopropyl-2,3-dihydro-1H-isoindol-5-amine.

Molecular Properties

Compound Name4-cyclopropyl-2,3-dihydro-1H-isoindol-5-amine
PubChem CID168888894
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name4-cyclopropyl-2,3-dihydro-1H-isoindol-5-amine
SMILESNc1ccc2c(c1C1CC1)CNC2
InChIInChI=1S/C11H14N2/c12-10-4-3-8-5-13-6-9(8)11(10)7-1-2-7/h3-4,7,13H,1-2,5-6,12H2
InChIKeyCUBKFWJPJLAMLO-UHFFFAOYSA-N
XLogP1.75
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2,3-dihydro-1H-isoindol-5-amine?
The IUPAC name of 4-cyclopropyl-2,3-dihydro-1H-isoindol-5-amine (CID 168888894) is 4-cyclopropyl-2,3-dihydro-1H-isoindol-5-amine.
What is the SMILES notation for 4-cyclopropyl-2,3-dihydro-1H-isoindol-5-amine?
The canonical SMILES for 4-cyclopropyl-2,3-dihydro-1H-isoindol-5-amine is Nc1ccc2c(c1C1CC1)CNC2.
What is the InChIKey of 4-cyclopropyl-2,3-dihydro-1H-isoindol-5-amine?
The InChIKey is CUBKFWJPJLAMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c12-10-4-3-8-5-13-6-9(8)11(10)7-1-2-7/h3-4,7,13H,1-2,5-6,12H2.
What are the key properties of 4-cyclopropyl-2,3-dihydro-1H-isoindol-5-amine?
4-cyclopropyl-2,3-dihydro-1H-isoindol-5-amine has a molecular weight of 174.25 g/mol, XLogP of 1.75, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2,3-dihydro-1H-isoindol-5-amine is sourced from PubChem (CID 168888894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).