3-[(cyclobutylamino)methyl]-1H-indol-4-amine

C13H17N3 — CID 117171132

IUPAC3-[(cyclobutylamino)methyl]-1H-indol-4-amine
SMILESNc1cccc2[nH]cc(CNC3CCC3)c12
InChIInChI=1S/C13H17N3/c14-11-5-2-6-12-13(11)9(8-16-12)7-15-10-3-1-4-10/h2,5-6,8,10,15-16H,1,3-4,7,14H2
InChIKeyXSCCKDIGFMBNGX-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.39
Rot. Bonds3

About 3-[(cyclobutylamino)methyl]-1H-indol-4-amine

3-[(cyclobutylamino)methyl]-1H-indol-4-amine (PubChem CID 117171132) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-[(cyclobutylamino)methyl]-1H-indol-4-amine.

Molecular Properties

Compound Name3-[(cyclobutylamino)methyl]-1H-indol-4-amine
PubChem CID117171132
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name3-[(cyclobutylamino)methyl]-1H-indol-4-amine
SMILESNc1cccc2[nH]cc(CNC3CCC3)c12
InChIInChI=1S/C13H17N3/c14-11-5-2-6-12-13(11)9(8-16-12)7-15-10-3-1-4-10/h2,5-6,8,10,15-16H,1,3-4,7,14H2
InChIKeyXSCCKDIGFMBNGX-UHFFFAOYSA-N
XLogP2.39
TPSA53.84 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[(cyclobutylamino)methyl]-1H-indol-4-amine 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 3-[(cyclobutylamino)methyl]-1H-indol-4-amine?
The IUPAC name of 3-[(cyclobutylamino)methyl]-1H-indol-4-amine (CID 117171132) is 3-[(cyclobutylamino)methyl]-1H-indol-4-amine.
What is the SMILES notation for 3-[(cyclobutylamino)methyl]-1H-indol-4-amine?
The canonical SMILES for 3-[(cyclobutylamino)methyl]-1H-indol-4-amine is Nc1cccc2[nH]cc(CNC3CCC3)c12.
What is the InChIKey of 3-[(cyclobutylamino)methyl]-1H-indol-4-amine?
The InChIKey is XSCCKDIGFMBNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c14-11-5-2-6-12-13(11)9(8-16-12)7-15-10-3-1-4-10/h2,5-6,8,10,15-16H,1,3-4,7,14H2.
What are the key properties of 3-[(cyclobutylamino)methyl]-1H-indol-4-amine?
3-[(cyclobutylamino)methyl]-1H-indol-4-amine has a molecular weight of 215.30 g/mol, XLogP of 2.39, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclobutylamino)methyl]-1H-indol-4-amine is sourced from PubChem (CID 117171132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).