2,2-dimethylindol-5-amine

C10H12N2 — CID 21446371

IUPAC2,2-dimethylindol-5-amine
SMILESCC1(C)C=c2cc(N)ccc2=N1
InChIInChI=1S/C10H12N2/c1-10(2)6-7-5-8(11)3-4-9(7)12-10/h3-6H,11H2,1-2H3
InChIKeyMGCHNCHHFAYIJR-UHFFFAOYSA-N
MW160.22 g/mol
LogP0.46
Rot. Bonds

About 2,2-dimethylindol-5-amine

2,2-dimethylindol-5-amine (PubChem CID 21446371) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 2,2-dimethylindol-5-amine.

Molecular Properties

Compound Name2,2-dimethylindol-5-amine
PubChem CID21446371
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name2,2-dimethylindol-5-amine
SMILESCC1(C)C=c2cc(N)ccc2=N1
InChIInChI=1S/C10H12N2/c1-10(2)6-7-5-8(11)3-4-9(7)12-10/h3-6H,11H2,1-2H3
InChIKeyMGCHNCHHFAYIJR-UHFFFAOYSA-N
XLogP0.46
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 50.46
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

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CID 135505015
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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylindol-5-amine?
The IUPAC name of 2,2-dimethylindol-5-amine (CID 21446371) is 2,2-dimethylindol-5-amine.
What is the SMILES notation for 2,2-dimethylindol-5-amine?
The canonical SMILES for 2,2-dimethylindol-5-amine is CC1(C)C=c2cc(N)ccc2=N1.
What is the InChIKey of 2,2-dimethylindol-5-amine?
The InChIKey is MGCHNCHHFAYIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-10(2)6-7-5-8(11)3-4-9(7)12-10/h3-6H,11H2,1-2H3.
What are the key properties of 2,2-dimethylindol-5-amine?
2,2-dimethylindol-5-amine has a molecular weight of 160.22 g/mol, XLogP of 0.46, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylindol-5-amine is sourced from PubChem (CID 21446371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).