1,1,2-trimethyl-3H-isoindol-5-amine

C11H16N2 — CID 58289813

IUPAC1,1,2-trimethyl-3H-isoindol-5-amine
SMILESCN1Cc2cc(N)ccc2C1(C)C
InChIInChI=1S/C11H16N2/c1-11(2)10-5-4-9(12)6-8(10)7-13(11)3/h4-6H,7,12H2,1-3H3
InChIKeyQAWIGFGJXOCTRI-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.95
Rot. Bonds

About 1,1,2-trimethyl-3H-isoindol-5-amine

1,1,2-trimethyl-3H-isoindol-5-amine (PubChem CID 58289813) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 1,1,2-trimethyl-3H-isoindol-5-amine.

Molecular Properties

Compound Name1,1,2-trimethyl-3H-isoindol-5-amine
PubChem CID58289813
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name1,1,2-trimethyl-3H-isoindol-5-amine
SMILESCN1Cc2cc(N)ccc2C1(C)C
InChIInChI=1S/C11H16N2/c1-11(2)10-5-4-9(12)6-8(10)7-13(11)3/h4-6H,7,12H2,1-3H3
InChIKeyQAWIGFGJXOCTRI-UHFFFAOYSA-N
XLogP1.95
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2-trimethyl-3H-isoindol-5-amine?
The IUPAC name of 1,1,2-trimethyl-3H-isoindol-5-amine (CID 58289813) is 1,1,2-trimethyl-3H-isoindol-5-amine.
What is the SMILES notation for 1,1,2-trimethyl-3H-isoindol-5-amine?
The canonical SMILES for 1,1,2-trimethyl-3H-isoindol-5-amine is CN1Cc2cc(N)ccc2C1(C)C.
What is the InChIKey of 1,1,2-trimethyl-3H-isoindol-5-amine?
The InChIKey is QAWIGFGJXOCTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-11(2)10-5-4-9(12)6-8(10)7-13(11)3/h4-6H,7,12H2,1-3H3.
What are the key properties of 1,1,2-trimethyl-3H-isoindol-5-amine?
1,1,2-trimethyl-3H-isoindol-5-amine has a molecular weight of 176.26 g/mol, XLogP of 1.95, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trimethyl-3H-isoindol-5-amine is sourced from PubChem (CID 58289813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).