3-[3-(methylamino)cyclohexyl]-1H-indol-5-amine

C15H21N3 — CID 89186473

IUPAC3-[3-(methylamino)cyclohexyl]-1H-indol-5-amine
SMILESCNC1CCCC(c2c[nH]c3ccc(N)cc23)C1
InChIInChI=1S/C15H21N3/c1-17-12-4-2-3-10(7-12)14-9-18-15-6-5-11(16)8-13(14)15/h5-6,8-10,12,17-18H,2-4,7,16H2,1H3
InChIKeyFOEHVTBPDVGLTK-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.00
Rot. Bonds2

About 3-[3-(methylamino)cyclohexyl]-1H-indol-5-amine

3-[3-(methylamino)cyclohexyl]-1H-indol-5-amine (PubChem CID 89186473) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-[3-(methylamino)cyclohexyl]-1H-indol-5-amine.

Molecular Properties

Compound Name3-[3-(methylamino)cyclohexyl]-1H-indol-5-amine
PubChem CID89186473
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name3-[3-(methylamino)cyclohexyl]-1H-indol-5-amine
SMILESCNC1CCCC(c2c[nH]c3ccc(N)cc23)C1
InChIInChI=1S/C15H21N3/c1-17-12-4-2-3-10(7-12)14-9-18-15-6-5-11(16)8-13(14)15/h5-6,8-10,12,17-18H,2-4,7,16H2,1H3
InChIKeyFOEHVTBPDVGLTK-UHFFFAOYSA-N
XLogP3.00
TPSA53.84 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.00
H-Bond Donors ≤ 53
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 3-[3-(methylamino)cyclohexyl]-1H-indol-5-amine?
The IUPAC name of 3-[3-(methylamino)cyclohexyl]-1H-indol-5-amine (CID 89186473) is 3-[3-(methylamino)cyclohexyl]-1H-indol-5-amine.
What is the SMILES notation for 3-[3-(methylamino)cyclohexyl]-1H-indol-5-amine?
The canonical SMILES for 3-[3-(methylamino)cyclohexyl]-1H-indol-5-amine is CNC1CCCC(c2c[nH]c3ccc(N)cc23)C1.
What is the InChIKey of 3-[3-(methylamino)cyclohexyl]-1H-indol-5-amine?
The InChIKey is FOEHVTBPDVGLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-17-12-4-2-3-10(7-12)14-9-18-15-6-5-11(16)8-13(14)15/h5-6,8-10,12,17-18H,2-4,7,16H2,1H3.
What are the key properties of 3-[3-(methylamino)cyclohexyl]-1H-indol-5-amine?
3-[3-(methylamino)cyclohexyl]-1H-indol-5-amine has a molecular weight of 243.35 g/mol, XLogP of 3.00, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(methylamino)cyclohexyl]-1H-indol-5-amine is sourced from PubChem (CID 89186473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).