3-propan-2-yl-1H-indol-5-amine

C11H14N2 — CID 90162786

IUPAC3-propan-2-yl-1H-indol-5-amine
SMILESCC(C)c1c[nH]c2ccc(N)cc12
InChIInChI=1S/C11H14N2/c1-7(2)10-6-13-11-4-3-8(12)5-9(10)11/h3-7,13H,12H2,1-2H3
InChIKeyDEYAKXUPIKPLHX-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.87
Rot. Bonds1

About 3-propan-2-yl-1H-indol-5-amine

3-propan-2-yl-1H-indol-5-amine (PubChem CID 90162786) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 3-propan-2-yl-1H-indol-5-amine.

Molecular Properties

Compound Name3-propan-2-yl-1H-indol-5-amine
PubChem CID90162786
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name3-propan-2-yl-1H-indol-5-amine
SMILESCC(C)c1c[nH]c2ccc(N)cc12
InChIInChI=1S/C11H14N2/c1-7(2)10-6-13-11-4-3-8(12)5-9(10)11/h3-7,13H,12H2,1-2H3
InChIKeyDEYAKXUPIKPLHX-UHFFFAOYSA-N
XLogP2.87
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.87
H-Bond Donors ≤ 52
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 3-propan-2-yl-1H-indol-5-amine?
The IUPAC name of 3-propan-2-yl-1H-indol-5-amine (CID 90162786) is 3-propan-2-yl-1H-indol-5-amine.
What is the SMILES notation for 3-propan-2-yl-1H-indol-5-amine?
The canonical SMILES for 3-propan-2-yl-1H-indol-5-amine is CC(C)c1c[nH]c2ccc(N)cc12.
What is the InChIKey of 3-propan-2-yl-1H-indol-5-amine?
The InChIKey is DEYAKXUPIKPLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-7(2)10-6-13-11-4-3-8(12)5-9(10)11/h3-7,13H,12H2,1-2H3.
What are the key properties of 3-propan-2-yl-1H-indol-5-amine?
3-propan-2-yl-1H-indol-5-amine has a molecular weight of 174.25 g/mol, XLogP of 2.87, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1H-indol-5-amine is sourced from PubChem (CID 90162786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).