1,4-dimethylindol-3-amine

C10H12N2 — CID 89174209

IUPAC1,4-dimethylindol-3-amine
SMILESCc1cccc2c1c(N)cn2C
InChIInChI=1S/C10H12N2/c1-7-4-3-5-9-10(7)8(11)6-12(9)2/h3-6H,11H2,1-2H3
InChIKeyJHARIVGLHIATAS-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.07
Rot. Bonds

About 1,4-dimethylindol-3-amine

1,4-dimethylindol-3-amine (PubChem CID 89174209) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 1,4-dimethylindol-3-amine.

Molecular Properties

Compound Name1,4-dimethylindol-3-amine
PubChem CID89174209
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name1,4-dimethylindol-3-amine
SMILESCc1cccc2c1c(N)cn2C
InChIInChI=1S/C10H12N2/c1-7-4-3-5-9-10(7)8(11)6-12(9)2/h3-6H,11H2,1-2H3
InChIKeyJHARIVGLHIATAS-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

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylindol-3-amine?
The IUPAC name of 1,4-dimethylindol-3-amine (CID 89174209) is 1,4-dimethylindol-3-amine.
What is the SMILES notation for 1,4-dimethylindol-3-amine?
The canonical SMILES for 1,4-dimethylindol-3-amine is Cc1cccc2c1c(N)cn2C.
What is the InChIKey of 1,4-dimethylindol-3-amine?
The InChIKey is JHARIVGLHIATAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-7-4-3-5-9-10(7)8(11)6-12(9)2/h3-6H,11H2,1-2H3.
What are the key properties of 1,4-dimethylindol-3-amine?
1,4-dimethylindol-3-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 1,4-dimethylindol-3-amine is sourced from PubChem (CID 89174209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).