3,5-dimethyl-1H-indol-7-amine

C10H12N2 — CID 130049537

IUPAC3,5-dimethyl-1H-indol-7-amine
SMILESCc1cc(N)c2[nH]cc(C)c2c1
InChIInChI=1S/C10H12N2/c1-6-3-8-7(2)5-12-10(8)9(11)4-6/h3-5,12H,11H2,1-2H3
InChIKeyGNOABEJMWBPAPB-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.37
Rot. Bonds

About 3,5-dimethyl-1H-indol-7-amine

3,5-dimethyl-1H-indol-7-amine (PubChem CID 130049537) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 3,5-dimethyl-1H-indol-7-amine.

Molecular Properties

Compound Name3,5-dimethyl-1H-indol-7-amine
PubChem CID130049537
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name3,5-dimethyl-1H-indol-7-amine
SMILESCc1cc(N)c2[nH]cc(C)c2c1
InChIInChI=1S/C10H12N2/c1-6-3-8-7(2)5-12-10(8)9(11)4-6/h3-5,12H,11H2,1-2H3
InChIKeyGNOABEJMWBPAPB-UHFFFAOYSA-N
XLogP2.37
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,5-dimethyl-1H-indol-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Indole
CID 798
Skatole
CID 6736
Tryptamine
CID 1150
N,N-Dimethyltryptamine
CID 6089
Gramine
CID 6890
Beta-Carboline
CID 64961
(+-)-alpha-Methyltryptamine
CID 9287
Methyltryptamine
CID 6088
Indalpine
CID 44668
Alpha-Ethyltryptamine
CID 8367
(-)-Agroclavine
CID 73484
Indole-3-acetonitrile
CID 351795

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1H-indol-7-amine?
The IUPAC name of 3,5-dimethyl-1H-indol-7-amine (CID 130049537) is 3,5-dimethyl-1H-indol-7-amine.
What is the SMILES notation for 3,5-dimethyl-1H-indol-7-amine?
The canonical SMILES for 3,5-dimethyl-1H-indol-7-amine is Cc1cc(N)c2[nH]cc(C)c2c1.
What is the InChIKey of 3,5-dimethyl-1H-indol-7-amine?
The InChIKey is GNOABEJMWBPAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-6-3-8-7(2)5-12-10(8)9(11)4-6/h3-5,12H,11H2,1-2H3.
What are the key properties of 3,5-dimethyl-1H-indol-7-amine?
3,5-dimethyl-1H-indol-7-amine has a molecular weight of 160.22 g/mol, XLogP of 2.37, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1H-indol-7-amine is sourced from PubChem (CID 130049537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).