1-propylindol-6-amine

C11H14N2 — CID 43308928

IUPAC1-propylindol-6-amine
SMILESCCCn1ccc2ccc(N)cc21
InChIInChI=1S/C11H14N2/c1-2-6-13-7-5-9-3-4-10(12)8-11(9)13/h3-5,7-8H,2,6,12H2,1H3
InChIKeyOXIYXXZXJRDGHU-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.63
Rot. Bonds2

About 1-propylindol-6-amine

1-propylindol-6-amine (PubChem CID 43308928) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 1-propylindol-6-amine.

Molecular Properties

Compound Name1-propylindol-6-amine
PubChem CID43308928
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name1-propylindol-6-amine
SMILESCCCn1ccc2ccc(N)cc21
InChIInChI=1S/C11H14N2/c1-2-6-13-7-5-9-3-4-10(12)8-11(9)13/h3-5,7-8H,2,6,12H2,1H3
InChIKeyOXIYXXZXJRDGHU-UHFFFAOYSA-N
XLogP2.63
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.63
H-Bond Donors ≤ 51
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 1-propylindol-6-amine?
The IUPAC name of 1-propylindol-6-amine (CID 43308928) is 1-propylindol-6-amine.
What is the SMILES notation for 1-propylindol-6-amine?
The canonical SMILES for 1-propylindol-6-amine is CCCn1ccc2ccc(N)cc21.
What is the InChIKey of 1-propylindol-6-amine?
The InChIKey is OXIYXXZXJRDGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-2-6-13-7-5-9-3-4-10(12)8-11(9)13/h3-5,7-8H,2,6,12H2,1H3.
What are the key properties of 1-propylindol-6-amine?
1-propylindol-6-amine has a molecular weight of 174.25 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylindol-6-amine is sourced from PubChem (CID 43308928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).