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

C11H14N2 — CID 166774840

IUPAC2-propan-2-yl-1H-indol-3-amine
SMILESCC(C)c1[nH]c2ccccc2c1N
InChIInChI=1S/C11H14N2/c1-7(2)11-10(12)8-5-3-4-6-9(8)13-11/h3-7,13H,12H2,1-2H3
InChIKeyYCBLAMNJAYPCQP-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.87
Rot. Bonds1

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

2-propan-2-yl-1H-indol-3-amine (PubChem CID 166774840) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 2-propan-2-yl-1H-indol-3-amine.

Molecular Properties

Compound Name2-propan-2-yl-1H-indol-3-amine
PubChem CID166774840
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name2-propan-2-yl-1H-indol-3-amine
SMILESCC(C)c1[nH]c2ccccc2c1N
InChIInChI=1S/C11H14N2/c1-7(2)11-10(12)8-5-3-4-6-9(8)13-11/h3-7,13H,12H2,1-2H3
InChIKeyYCBLAMNJAYPCQP-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

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Related Compounds

2,3-di(propan-2-yl)-1H-indole
CID 15398122
2-propan-2-yl-1H-indole-3-carboxylic acid
CID 84671443
2-oxo-2-(2-propan-2-yl-1H-indol-3-yl)acetic acid
CID 69267464
3-[(E)-but-1-enyl]-2-propan-2-yl-1H-indole
CID 102241290
2-(2-propan-2-yl-1H-indol-3-yl)acetic acid
CID 70573715
bis(9H-carbazole);ethane
CID 145072085
9H-carbazole;ethane
CID 91098062
9H-carbazole
CID 66668984
2-(1-aminopropyl)-1H-indol-3-ol
CID 130002509
bromomethane;9H-carbazole
CID 67594562
2-amino-1-(3-methyl-1H-indol-2-yl)ethanol
CID 112708805
9H-carbazole;copper
CID 159878189

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1H-indol-3-amine?
The IUPAC name of 2-propan-2-yl-1H-indol-3-amine (CID 166774840) is 2-propan-2-yl-1H-indol-3-amine.
What is the SMILES notation for 2-propan-2-yl-1H-indol-3-amine?
The canonical SMILES for 2-propan-2-yl-1H-indol-3-amine is CC(C)c1[nH]c2ccccc2c1N.
What is the InChIKey of 2-propan-2-yl-1H-indol-3-amine?
The InChIKey is YCBLAMNJAYPCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-7(2)11-10(12)8-5-3-4-6-9(8)13-11/h3-7,13H,12H2,1-2H3.
What are the key properties of 2-propan-2-yl-1H-indol-3-amine?
2-propan-2-yl-1H-indol-3-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 2-propan-2-yl-1H-indol-3-amine is sourced from PubChem (CID 166774840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).