[1-(1-methylindol-5-yl)cyclohexyl]methanamine

C16H22N2 — CID 117358358

IUPAC[1-(1-methylindol-5-yl)cyclohexyl]methanamine
SMILESCn1ccc2cc(C3(CN)CCCCC3)ccc21
InChIInChI=1S/C16H22N2/c1-18-10-7-13-11-14(5-6-15(13)18)16(12-17)8-3-2-4-9-16/h5-7,10-11H,2-4,8-9,12,17H2,1H3
InChIKeyCQWLTBJQKGRCBK-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.34
Rot. Bonds2

About [1-(1-methylindol-5-yl)cyclohexyl]methanamine

[1-(1-methylindol-5-yl)cyclohexyl]methanamine (PubChem CID 117358358) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is [1-(1-methylindol-5-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(1-methylindol-5-yl)cyclohexyl]methanamine
PubChem CID117358358
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name[1-(1-methylindol-5-yl)cyclohexyl]methanamine
SMILESCn1ccc2cc(C3(CN)CCCCC3)ccc21
InChIInChI=1S/C16H22N2/c1-18-10-7-13-11-14(5-6-15(13)18)16(12-17)8-3-2-4-9-16/h5-7,10-11H,2-4,8-9,12,17H2,1H3
InChIKeyCQWLTBJQKGRCBK-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(1-methylindol-5-yl)cyclohexyl]methanamine?
The IUPAC name of [1-(1-methylindol-5-yl)cyclohexyl]methanamine (CID 117358358) is [1-(1-methylindol-5-yl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(1-methylindol-5-yl)cyclohexyl]methanamine?
The canonical SMILES for [1-(1-methylindol-5-yl)cyclohexyl]methanamine is Cn1ccc2cc(C3(CN)CCCCC3)ccc21.
What is the InChIKey of [1-(1-methylindol-5-yl)cyclohexyl]methanamine?
The InChIKey is CQWLTBJQKGRCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-18-10-7-13-11-14(5-6-15(13)18)16(12-17)8-3-2-4-9-16/h5-7,10-11H,2-4,8-9,12,17H2,1H3.
What are the key properties of [1-(1-methylindol-5-yl)cyclohexyl]methanamine?
[1-(1-methylindol-5-yl)cyclohexyl]methanamine has a molecular weight of 242.37 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-methylindol-5-yl)cyclohexyl]methanamine is sourced from PubChem (CID 117358358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).