2-(1-amino-2-methylpropan-2-yl)-1H-indol-5-amine

C12H17N3 — CID 89071346

IUPAC2-(1-amino-2-methylpropan-2-yl)-1H-indol-5-amine
SMILESCC(C)(CN)c1cc2cc(N)ccc2[nH]1
InChIInChI=1S/C12H17N3/c1-12(2,7-13)11-6-8-5-9(14)3-4-10(8)15-11/h3-6,15H,7,13-14H2,1-2H3
InChIKeyZOMGAAYEBOMTEE-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.99
Rot. Bonds2

About 2-(1-amino-2-methylpropan-2-yl)-1H-indol-5-amine

2-(1-amino-2-methylpropan-2-yl)-1H-indol-5-amine (PubChem CID 89071346) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-(1-amino-2-methylpropan-2-yl)-1H-indol-5-amine.

Molecular Properties

Compound Name2-(1-amino-2-methylpropan-2-yl)-1H-indol-5-amine
PubChem CID89071346
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name2-(1-amino-2-methylpropan-2-yl)-1H-indol-5-amine
SMILESCC(C)(CN)c1cc2cc(N)ccc2[nH]1
InChIInChI=1S/C12H17N3/c1-12(2,7-13)11-6-8-5-9(14)3-4-10(8)15-11/h3-6,15H,7,13-14H2,1-2H3
InChIKeyZOMGAAYEBOMTEE-UHFFFAOYSA-N
XLogP1.99
TPSA67.83 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(1-amino-2-methylpropan-2-yl)-1H-indol-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 2-(1-amino-2-methylpropan-2-yl)-1H-indol-5-amine?
The IUPAC name of 2-(1-amino-2-methylpropan-2-yl)-1H-indol-5-amine (CID 89071346) is 2-(1-amino-2-methylpropan-2-yl)-1H-indol-5-amine.
What is the SMILES notation for 2-(1-amino-2-methylpropan-2-yl)-1H-indol-5-amine?
The canonical SMILES for 2-(1-amino-2-methylpropan-2-yl)-1H-indol-5-amine is CC(C)(CN)c1cc2cc(N)ccc2[nH]1.
What is the InChIKey of 2-(1-amino-2-methylpropan-2-yl)-1H-indol-5-amine?
The InChIKey is ZOMGAAYEBOMTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-12(2,7-13)11-6-8-5-9(14)3-4-10(8)15-11/h3-6,15H,7,13-14H2,1-2H3.
What are the key properties of 2-(1-amino-2-methylpropan-2-yl)-1H-indol-5-amine?
2-(1-amino-2-methylpropan-2-yl)-1H-indol-5-amine has a molecular weight of 203.29 g/mol, XLogP of 1.99, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2-methylpropan-2-yl)-1H-indol-5-amine is sourced from PubChem (CID 89071346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).