2,3,3-trimethylindol-5-amine

C11H14N2 — CID 594548

IUPAC2,3,3-trimethylindol-5-amine
SMILESCC1=Nc2ccc(N)cc2C1(C)C
InChIInChI=1S/C11H14N2/c1-7-11(2,3)9-6-8(12)4-5-10(9)13-7/h4-6H,12H2,1-3H3
InChIKeyCPPYFOCHFCYAQQ-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.65
Rot. Bonds

About 2,3,3-trimethylindol-5-amine

2,3,3-trimethylindol-5-amine (PubChem CID 594548) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 2,3,3-trimethylindol-5-amine.

Molecular Properties

Compound Name2,3,3-trimethylindol-5-amine
PubChem CID594548
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name2,3,3-trimethylindol-5-amine
SMILESCC1=Nc2ccc(N)cc2C1(C)C
InChIInChI=1S/C11H14N2/c1-7-11(2,3)9-6-8(12)4-5-10(9)13-7/h4-6H,12H2,1-3H3
InChIKeyCPPYFOCHFCYAQQ-UHFFFAOYSA-N
XLogP2.65
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3H-Indole, 2,3,3-trimethyl-
CID 15427
2-tert-Butylaniline
CID 80574
3H-Indole, 2,3,3-trimethyl-5-nitro-
CID 97551
3H-Indole, 2,3,3,5-tetramethyl-
CID 117693
3-tert-Butylaniline
CID 79334
3H-Indole, 3,3-dimethyl-2-phenyl-
CID 138796
4A-Methyl-2,3,4,4A-tetrahydro-1H-carbazole
CID 3292772
3-(1,2,3,4-tetrahydro-4aH-carbazol-4a-yl)propanenitrile
CID 2826978
2-Phenylindol-3-imine
CID 224502
[3h]Tryptamine
CID 12978088
3-butyl-3H-indol-2-amine;hydrochloride
CID 118711981
2,4,4-Trimethyl-3,4-dihydroquinoline
CID 594116

Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethylindol-5-amine?
The IUPAC name of 2,3,3-trimethylindol-5-amine (CID 594548) is 2,3,3-trimethylindol-5-amine.
What is the SMILES notation for 2,3,3-trimethylindol-5-amine?
The canonical SMILES for 2,3,3-trimethylindol-5-amine is CC1=Nc2ccc(N)cc2C1(C)C.
What is the InChIKey of 2,3,3-trimethylindol-5-amine?
The InChIKey is CPPYFOCHFCYAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-7-11(2,3)9-6-8(12)4-5-10(9)13-7/h4-6H,12H2,1-3H3.
What are the key properties of 2,3,3-trimethylindol-5-amine?
2,3,3-trimethylindol-5-amine has a molecular weight of 174.25 g/mol, XLogP of 2.65, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethylindol-5-amine is sourced from PubChem (CID 594548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).