1-cyclobutyl-2,3-dihydroindol-7-amine

C12H16N2 — CID 84732901

IUPAC1-cyclobutyl-2,3-dihydroindol-7-amine
SMILESNc1cccc2c1N(C1CCC1)CC2
InChIInChI=1S/C12H16N2/c13-11-6-1-3-9-7-8-14(12(9)11)10-4-2-5-10/h1,3,6,10H,2,4-5,7-8,13H2
InChIKeyLRXKRXYDTAGJAA-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.18
Rot. Bonds1

About 1-cyclobutyl-2,3-dihydroindol-7-amine

1-cyclobutyl-2,3-dihydroindol-7-amine (PubChem CID 84732901) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-cyclobutyl-2,3-dihydroindol-7-amine.

Molecular Properties

Compound Name1-cyclobutyl-2,3-dihydroindol-7-amine
PubChem CID84732901
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name1-cyclobutyl-2,3-dihydroindol-7-amine
SMILESNc1cccc2c1N(C1CCC1)CC2
InChIInChI=1S/C12H16N2/c13-11-6-1-3-9-7-8-14(12(9)11)10-4-2-5-10/h1,3,6,10H,2,4-5,7-8,13H2
InChIKeyLRXKRXYDTAGJAA-UHFFFAOYSA-N
XLogP2.18
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.18
H-Bond Donors ≤ 51
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 1-cyclobutyl-2,3-dihydroindol-7-amine?
The IUPAC name of 1-cyclobutyl-2,3-dihydroindol-7-amine (CID 84732901) is 1-cyclobutyl-2,3-dihydroindol-7-amine.
What is the SMILES notation for 1-cyclobutyl-2,3-dihydroindol-7-amine?
The canonical SMILES for 1-cyclobutyl-2,3-dihydroindol-7-amine is Nc1cccc2c1N(C1CCC1)CC2.
What is the InChIKey of 1-cyclobutyl-2,3-dihydroindol-7-amine?
The InChIKey is LRXKRXYDTAGJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c13-11-6-1-3-9-7-8-14(12(9)11)10-4-2-5-10/h1,3,6,10H,2,4-5,7-8,13H2.
What are the key properties of 1-cyclobutyl-2,3-dihydroindol-7-amine?
1-cyclobutyl-2,3-dihydroindol-7-amine has a molecular weight of 188.27 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2,3-dihydroindol-7-amine is sourced from PubChem (CID 84732901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).