1,3-dimethylindol-7-amine

C10H12N2 — CID 83815699

IUPAC1,3-dimethylindol-7-amine
SMILESCc1cn(C)c2c(N)cccc12
InChIInChI=1S/C10H12N2/c1-7-6-12(2)10-8(7)4-3-5-9(10)11/h3-6H,11H2,1-2H3
InChIKeyYMRVIXQJLTVNRL-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.07
Rot. Bonds

About 1,3-dimethylindol-7-amine

1,3-dimethylindol-7-amine (PubChem CID 83815699) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 1,3-dimethylindol-7-amine.

Molecular Properties

Compound Name1,3-dimethylindol-7-amine
PubChem CID83815699
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name1,3-dimethylindol-7-amine
SMILESCc1cn(C)c2c(N)cccc12
InChIInChI=1S/C10H12N2/c1-7-6-12(2)10-8(7)4-3-5-9(10)11/h3-6H,11H2,1-2H3
InChIKeyYMRVIXQJLTVNRL-UHFFFAOYSA-N
XLogP2.07
TPSA30.95 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 ≤ 52.07
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 1,3-dimethylindol-7-amine?
The IUPAC name of 1,3-dimethylindol-7-amine (CID 83815699) is 1,3-dimethylindol-7-amine.
What is the SMILES notation for 1,3-dimethylindol-7-amine?
The canonical SMILES for 1,3-dimethylindol-7-amine is Cc1cn(C)c2c(N)cccc12.
What is the InChIKey of 1,3-dimethylindol-7-amine?
The InChIKey is YMRVIXQJLTVNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-7-6-12(2)10-8(7)4-3-5-9(10)11/h3-6H,11H2,1-2H3.
What are the key properties of 1,3-dimethylindol-7-amine?
1,3-dimethylindol-7-amine has a molecular weight of 160.22 g/mol, XLogP of 2.07, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylindol-7-amine is sourced from PubChem (CID 83815699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).