1-(cyclobutylmethyl)indol-6-amine

C13H16N2 — CID 65457807

IUPAC1-(cyclobutylmethyl)indol-6-amine
SMILESNc1ccc2ccn(CC3CCC3)c2c1
InChIInChI=1S/C13H16N2/c14-12-5-4-11-6-7-15(13(11)8-12)9-10-2-1-3-10/h4-8,10H,1-3,9,14H2
InChIKeyXLCWYHQEYLBTIK-UHFFFAOYSA-N
MW200.29 g/mol
LogP3.02
Rot. Bonds2

About 1-(cyclobutylmethyl)indol-6-amine

1-(cyclobutylmethyl)indol-6-amine (PubChem CID 65457807) has the molecular formula C13H16N2 and a molecular weight of 200.29 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)indol-6-amine.

Molecular Properties

Compound Name1-(cyclobutylmethyl)indol-6-amine
PubChem CID65457807
Molecular FormulaC13H16N2
Molecular Weight200.29 g/mol
Exact Mass200.13
IUPAC Name1-(cyclobutylmethyl)indol-6-amine
SMILESNc1ccc2ccn(CC3CCC3)c2c1
InChIInChI=1S/C13H16N2/c14-12-5-4-11-6-7-15(13(11)8-12)9-10-2-1-3-10/h4-8,10H,1-3,9,14H2
InChIKeyXLCWYHQEYLBTIK-UHFFFAOYSA-N
XLogP3.02
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(cyclobutylmethyl)indol-6-yl]propan-2-amine
CID 115106688
1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indol-6-amine
CID 102897950
[1-(cyclopropylmethyl)indol-6-yl]methanol
CID 28958289
tert-butyl 4-[(6-aminoindol-1-yl)methyl]piperidine-1-carboxylate
CID 143452162
1-[(4,4-difluorocyclohexyl)methyl]indol-5-amine
CID 156881348
5-bromo-1-(cyclobutylmethyl)indole
CID 116619741
1-(cyclobutylmethyl)pyrrolo[2,3-b]pyridin-5-amine
CID 137488548
1-(cyclopentylmethyl)-N'-hydroxyindole-6-carboximidamide
CID 107917535
1-[1-(cyclopentylmethyl)indol-6-yl]ethanone
CID 115106717
[1-(cyclobutylmethyl)indol-5-yl]methanol
CID 117118884
2-[1-(cyclopropylmethyl)indol-5-yl]ethanamine
CID 115106812
1-(methoxymethyl)indol-6-amine
CID 65365107

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)indol-6-amine?
The IUPAC name of 1-(cyclobutylmethyl)indol-6-amine (CID 65457807) is 1-(cyclobutylmethyl)indol-6-amine.
What is the SMILES notation for 1-(cyclobutylmethyl)indol-6-amine?
The canonical SMILES for 1-(cyclobutylmethyl)indol-6-amine is Nc1ccc2ccn(CC3CCC3)c2c1.
What is the InChIKey of 1-(cyclobutylmethyl)indol-6-amine?
The InChIKey is XLCWYHQEYLBTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c14-12-5-4-11-6-7-15(13(11)8-12)9-10-2-1-3-10/h4-8,10H,1-3,9,14H2.
What are the key properties of 1-(cyclobutylmethyl)indol-6-amine?
1-(cyclobutylmethyl)indol-6-amine has a molecular weight of 200.29 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)indol-6-amine is sourced from PubChem (CID 65457807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).