2-(1,2-dimethylindol-3-yl)-2-(3-methylcyclohexyl)ethanamine

C19H28N2 — CID 83976727

IUPAC2-(1,2-dimethylindol-3-yl)-2-(3-methylcyclohexyl)ethanamine
SMILESCc1c(C(CN)C2CCCC(C)C2)c2ccccc2n1C
InChIInChI=1S/C19H28N2/c1-13-7-6-8-15(11-13)17(12-20)19-14(2)21(3)18-10-5-4-9-16(18)19/h4-5,9-10,13,15,17H,6-8,11-12,20H2,1-3H3
InChIKeyPYGVPJRSSSVHFR-UHFFFAOYSA-N
MW284.45 g/mol
LogP4.36
Rot. Bonds3

About 2-(1,2-dimethylindol-3-yl)-2-(3-methylcyclohexyl)ethanamine

2-(1,2-dimethylindol-3-yl)-2-(3-methylcyclohexyl)ethanamine (PubChem CID 83976727) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is 2-(1,2-dimethylindol-3-yl)-2-(3-methylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(1,2-dimethylindol-3-yl)-2-(3-methylcyclohexyl)ethanamine
PubChem CID83976727
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC Name2-(1,2-dimethylindol-3-yl)-2-(3-methylcyclohexyl)ethanamine
SMILESCc1c(C(CN)C2CCCC(C)C2)c2ccccc2n1C
InChIInChI=1S/C19H28N2/c1-13-7-6-8-15(11-13)17(12-20)19-14(2)21(3)18-10-5-4-9-16(18)19/h4-5,9-10,13,15,17H,6-8,11-12,20H2,1-3H3
InChIKeyPYGVPJRSSSVHFR-UHFFFAOYSA-N
XLogP4.36
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 2-(1,2-dimethylindol-3-yl)-2-(3-methylcyclohexyl)ethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dimethylindol-3-yl)-2-(3-methylcyclohexyl)ethanamine?
The IUPAC name of 2-(1,2-dimethylindol-3-yl)-2-(3-methylcyclohexyl)ethanamine (CID 83976727) is 2-(1,2-dimethylindol-3-yl)-2-(3-methylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(1,2-dimethylindol-3-yl)-2-(3-methylcyclohexyl)ethanamine?
The canonical SMILES for 2-(1,2-dimethylindol-3-yl)-2-(3-methylcyclohexyl)ethanamine is Cc1c(C(CN)C2CCCC(C)C2)c2ccccc2n1C.
What is the InChIKey of 2-(1,2-dimethylindol-3-yl)-2-(3-methylcyclohexyl)ethanamine?
The InChIKey is PYGVPJRSSSVHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2/c1-13-7-6-8-15(11-13)17(12-20)19-14(2)21(3)18-10-5-4-9-16(18)19/h4-5,9-10,13,15,17H,6-8,11-12,20H2,1-3H3.
What are the key properties of 2-(1,2-dimethylindol-3-yl)-2-(3-methylcyclohexyl)ethanamine?
2-(1,2-dimethylindol-3-yl)-2-(3-methylcyclohexyl)ethanamine has a molecular weight of 284.45 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dimethylindol-3-yl)-2-(3-methylcyclohexyl)ethanamine is sourced from PubChem (CID 83976727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).