[1-(1,2-dimethylindol-3-yl)cyclopentyl]methanamine

C16H22N2 — CID 82497283

IUPAC[1-(1,2-dimethylindol-3-yl)cyclopentyl]methanamine
SMILESCc1c(C2(CN)CCCC2)c2ccccc2n1C
InChIInChI=1S/C16H22N2/c1-12-15(16(11-17)9-5-6-10-16)13-7-3-4-8-14(13)18(12)2/h3-4,7-8H,5-6,9-11,17H2,1-2H3
InChIKeyPCJPAELLIUBMPY-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.26
Rot. Bonds2

About [1-(1,2-dimethylindol-3-yl)cyclopentyl]methanamine

[1-(1,2-dimethylindol-3-yl)cyclopentyl]methanamine (PubChem CID 82497283) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is [1-(1,2-dimethylindol-3-yl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(1,2-dimethylindol-3-yl)cyclopentyl]methanamine
PubChem CID82497283
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name[1-(1,2-dimethylindol-3-yl)cyclopentyl]methanamine
SMILESCc1c(C2(CN)CCCC2)c2ccccc2n1C
InChIInChI=1S/C16H22N2/c1-12-15(16(11-17)9-5-6-10-16)13-7-3-4-8-14(13)18(12)2/h3-4,7-8H,5-6,9-11,17H2,1-2H3
InChIKeyPCJPAELLIUBMPY-UHFFFAOYSA-N
XLogP3.26
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(1,2-dimethylindol-3-yl)cyclopentyl]methanamine?
The IUPAC name of [1-(1,2-dimethylindol-3-yl)cyclopentyl]methanamine (CID 82497283) is [1-(1,2-dimethylindol-3-yl)cyclopentyl]methanamine.
What is the SMILES notation for [1-(1,2-dimethylindol-3-yl)cyclopentyl]methanamine?
The canonical SMILES for [1-(1,2-dimethylindol-3-yl)cyclopentyl]methanamine is Cc1c(C2(CN)CCCC2)c2ccccc2n1C.
What is the InChIKey of [1-(1,2-dimethylindol-3-yl)cyclopentyl]methanamine?
The InChIKey is PCJPAELLIUBMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-12-15(16(11-17)9-5-6-10-16)13-7-3-4-8-14(13)18(12)2/h3-4,7-8H,5-6,9-11,17H2,1-2H3.
What are the key properties of [1-(1,2-dimethylindol-3-yl)cyclopentyl]methanamine?
[1-(1,2-dimethylindol-3-yl)cyclopentyl]methanamine has a molecular weight of 242.37 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,2-dimethylindol-3-yl)cyclopentyl]methanamine is sourced from PubChem (CID 82497283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).