tert-butyl N-(5-amino-2,3-dihydro-1H-inden-2-yl)carbamate

C14H20N2O2 — CID 42609144

IUPACtert-butyl N-(5-amino-2,3-dihydro-1H-inden-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1Cc2ccc(N)cc2C1
InChIInChI=1S/C14H20N2O2/c1-14(2,3)18-13(17)16-12-7-9-4-5-11(15)6-10(9)8-12/h4-6,12H,7-8,15H2,1-3H3,(H,16,17)
InChIKeyFIZZCNCGJUVFEU-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.26
Rot. Bonds1

About tert-butyl N-(5-amino-2,3-dihydro-1H-inden-2-yl)carbamate

tert-butyl N-(5-amino-2,3-dihydro-1H-inden-2-yl)carbamate (PubChem CID 42609144) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is tert-butyl N-(5-amino-2,3-dihydro-1H-inden-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-amino-2,3-dihydro-1H-inden-2-yl)carbamate
PubChem CID42609144
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Nametert-butyl N-(5-amino-2,3-dihydro-1H-inden-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1Cc2ccc(N)cc2C1
InChIInChI=1S/C14H20N2O2/c1-14(2,3)18-13(17)16-12-7-9-4-5-11(15)6-10(9)8-12/h4-6,12H,7-8,15H2,1-3H3,(H,16,17)
InChIKeyFIZZCNCGJUVFEU-UHFFFAOYSA-N
XLogP2.26
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl N-(5-amino-2,3-dihydro-1H-inden-2-yl)carbamate 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 tert-butyl N-(5-amino-2,3-dihydro-1H-inden-2-yl)carbamate?
The IUPAC name of tert-butyl N-(5-amino-2,3-dihydro-1H-inden-2-yl)carbamate (CID 42609144) is tert-butyl N-(5-amino-2,3-dihydro-1H-inden-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(5-amino-2,3-dihydro-1H-inden-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(5-amino-2,3-dihydro-1H-inden-2-yl)carbamate is CC(C)(C)OC(=O)NC1Cc2ccc(N)cc2C1.
What is the InChIKey of tert-butyl N-(5-amino-2,3-dihydro-1H-inden-2-yl)carbamate?
The InChIKey is FIZZCNCGJUVFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-14(2,3)18-13(17)16-12-7-9-4-5-11(15)6-10(9)8-12/h4-6,12H,7-8,15H2,1-3H3,(H,16,17).
What are the key properties of tert-butyl N-(5-amino-2,3-dihydro-1H-inden-2-yl)carbamate?
tert-butyl N-(5-amino-2,3-dihydro-1H-inden-2-yl)carbamate has a molecular weight of 248.33 g/mol, XLogP of 2.26, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-amino-2,3-dihydro-1H-inden-2-yl)carbamate is sourced from PubChem (CID 42609144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).