1-[1-(cyclobutylmethyl)indol-6-yl]propan-2-amine

C16H22N2 — CID 115106688

IUPAC1-[1-(cyclobutylmethyl)indol-6-yl]propan-2-amine
SMILESCC(N)Cc1ccc2ccn(CC3CCC3)c2c1
InChIInChI=1S/C16H22N2/c1-12(17)9-14-5-6-15-7-8-18(16(15)10-14)11-13-3-2-4-13/h5-8,10,12-13H,2-4,9,11,17H2,1H3
InChIKeyQMASAQMUZWIZJJ-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.33
Rot. Bonds4

About 1-[1-(cyclobutylmethyl)indol-6-yl]propan-2-amine

1-[1-(cyclobutylmethyl)indol-6-yl]propan-2-amine (PubChem CID 115106688) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 1-[1-(cyclobutylmethyl)indol-6-yl]propan-2-amine.

Molecular Properties

Compound Name1-[1-(cyclobutylmethyl)indol-6-yl]propan-2-amine
PubChem CID115106688
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name1-[1-(cyclobutylmethyl)indol-6-yl]propan-2-amine
SMILESCC(N)Cc1ccc2ccn(CC3CCC3)c2c1
InChIInChI=1S/C16H22N2/c1-12(17)9-14-5-6-15-7-8-18(16(15)10-14)11-13-3-2-4-13/h5-8,10,12-13H,2-4,9,11,17H2,1H3
InChIKeyQMASAQMUZWIZJJ-UHFFFAOYSA-N
XLogP3.33
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

1-[1-(cyclobutylmethyl)indol-5-yl]propan-2-ol
CID 115106760
1-(cyclobutylmethyl)indol-6-amine
CID 65457807
1-[1-(cyclopentylmethyl)indol-5-yl]propan-2-ol
CID 115106762
[1-(cyclopropylmethyl)indol-6-yl]methanol
CID 28958289
1-[1-[(3-bromophenyl)methyl]indol-6-yl]propan-2-amine
CID 102917946
1-[1-[2-(1-methylimidazol-2-yl)ethyl]indol-6-yl]propan-2-amine
CID 102917901
1-[1-[2-(2-methylpyrazol-3-yl)ethyl]indol-6-yl]propan-2-amine
CID 103015092
[1-(cyclobutylmethyl)indol-5-yl]methanol
CID 117118884
1-(1-cyclohexylindol-5-yl)propan-2-amine
CID 117118608
1-[1-(cyclopentylmethyl)indol-6-yl]ethanone
CID 115106717
1-[1-(2-methylbutyl)indol-6-yl]butan-2-amine
CID 102917956
5-bromo-1-(cyclobutylmethyl)indole
CID 116619741

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclobutylmethyl)indol-6-yl]propan-2-amine?
The IUPAC name of 1-[1-(cyclobutylmethyl)indol-6-yl]propan-2-amine (CID 115106688) is 1-[1-(cyclobutylmethyl)indol-6-yl]propan-2-amine.
What is the SMILES notation for 1-[1-(cyclobutylmethyl)indol-6-yl]propan-2-amine?
The canonical SMILES for 1-[1-(cyclobutylmethyl)indol-6-yl]propan-2-amine is CC(N)Cc1ccc2ccn(CC3CCC3)c2c1.
What is the InChIKey of 1-[1-(cyclobutylmethyl)indol-6-yl]propan-2-amine?
The InChIKey is QMASAQMUZWIZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-12(17)9-14-5-6-15-7-8-18(16(15)10-14)11-13-3-2-4-13/h5-8,10,12-13H,2-4,9,11,17H2,1H3.
What are the key properties of 1-[1-(cyclobutylmethyl)indol-6-yl]propan-2-amine?
1-[1-(cyclobutylmethyl)indol-6-yl]propan-2-amine has a molecular weight of 242.37 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclobutylmethyl)indol-6-yl]propan-2-amine is sourced from PubChem (CID 115106688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).