2-[(cyclobutylamino)methyl]-1H-indol-7-amine

C13H17N3 — CID 117183481

IUPAC2-[(cyclobutylamino)methyl]-1H-indol-7-amine
SMILESNc1cccc2cc(CNC3CCC3)[nH]c12
InChIInChI=1S/C13H17N3/c14-12-6-1-3-9-7-11(16-13(9)12)8-15-10-4-2-5-10/h1,3,6-7,10,15-16H,2,4-5,8,14H2
InChIKeyPPTRTQBFKLHOQQ-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.39
Rot. Bonds3

About 2-[(cyclobutylamino)methyl]-1H-indol-7-amine

2-[(cyclobutylamino)methyl]-1H-indol-7-amine (PubChem CID 117183481) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-[(cyclobutylamino)methyl]-1H-indol-7-amine.

Molecular Properties

Compound Name2-[(cyclobutylamino)methyl]-1H-indol-7-amine
PubChem CID117183481
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name2-[(cyclobutylamino)methyl]-1H-indol-7-amine
SMILESNc1cccc2cc(CNC3CCC3)[nH]c12
InChIInChI=1S/C13H17N3/c14-12-6-1-3-9-7-11(16-13(9)12)8-15-10-4-2-5-10/h1,3,6-7,10,15-16H,2,4-5,8,14H2
InChIKeyPPTRTQBFKLHOQQ-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(cyclobutylamino)methyl]-1H-indol-7-amine?
The IUPAC name of 2-[(cyclobutylamino)methyl]-1H-indol-7-amine (CID 117183481) is 2-[(cyclobutylamino)methyl]-1H-indol-7-amine.
What is the SMILES notation for 2-[(cyclobutylamino)methyl]-1H-indol-7-amine?
The canonical SMILES for 2-[(cyclobutylamino)methyl]-1H-indol-7-amine is Nc1cccc2cc(CNC3CCC3)[nH]c12.
What is the InChIKey of 2-[(cyclobutylamino)methyl]-1H-indol-7-amine?
The InChIKey is PPTRTQBFKLHOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c14-12-6-1-3-9-7-11(16-13(9)12)8-15-10-4-2-5-10/h1,3,6-7,10,15-16H,2,4-5,8,14H2.
What are the key properties of 2-[(cyclobutylamino)methyl]-1H-indol-7-amine?
2-[(cyclobutylamino)methyl]-1H-indol-7-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 2-[(cyclobutylamino)methyl]-1H-indol-7-amine is sourced from PubChem (CID 117183481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).