1-(1-methylindol-7-yl)cyclobutan-1-amine

C13H16N2 — CID 82607691

IUPAC1-(1-methylindol-7-yl)cyclobutan-1-amine
SMILESCn1ccc2cccc(C3(N)CCC3)c21
InChIInChI=1S/C13H16N2/c1-15-9-6-10-4-2-5-11(12(10)15)13(14)7-3-8-13/h2,4-6,9H,3,7-8,14H2,1H3
InChIKeyHFHHUAXHRFEDCU-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.52
Rot. Bonds1

About 1-(1-methylindol-7-yl)cyclobutan-1-amine

1-(1-methylindol-7-yl)cyclobutan-1-amine (PubChem CID 82607691) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-(1-methylindol-7-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(1-methylindol-7-yl)cyclobutan-1-amine
PubChem CID82607691
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name1-(1-methylindol-7-yl)cyclobutan-1-amine
SMILESCn1ccc2cccc(C3(N)CCC3)c21
InChIInChI=1S/C13H16N2/c1-15-9-6-10-4-2-5-11(12(10)15)13(14)7-3-8-13/h2,4-6,9H,3,7-8,14H2,1H3
InChIKeyHFHHUAXHRFEDCU-UHFFFAOYSA-N
XLogP2.52
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylindol-7-yl)cyclobutan-1-amine?
The IUPAC name of 1-(1-methylindol-7-yl)cyclobutan-1-amine (CID 82607691) is 1-(1-methylindol-7-yl)cyclobutan-1-amine.
What is the SMILES notation for 1-(1-methylindol-7-yl)cyclobutan-1-amine?
The canonical SMILES for 1-(1-methylindol-7-yl)cyclobutan-1-amine is Cn1ccc2cccc(C3(N)CCC3)c21.
What is the InChIKey of 1-(1-methylindol-7-yl)cyclobutan-1-amine?
The InChIKey is HFHHUAXHRFEDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-15-9-6-10-4-2-5-11(12(10)15)13(14)7-3-8-13/h2,4-6,9H,3,7-8,14H2,1H3.
What are the key properties of 1-(1-methylindol-7-yl)cyclobutan-1-amine?
1-(1-methylindol-7-yl)cyclobutan-1-amine has a molecular weight of 200.28 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylindol-7-yl)cyclobutan-1-amine is sourced from PubChem (CID 82607691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).