[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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Related Compounds

[1-(1,2-dimethylindol-5-yl)cyclobutyl]methanamine
CID 116996460
[1-(2-tert-butyl-1-methylbenzimidazol-5-yl)cyclohexyl]methanamine
CID 117482514
[1-(1,4-dimethyl-2,3-dihydroquinoxalin-6-yl)cyclohexyl]methanamine
CID 117436747
[1-(3,4-dimethylphenyl)cyclohexyl]methanamine
CID 62899225
[1-(4-chloro-1-methylindol-5-yl)cyclohexyl]methanamine
CID 117443469
[1-(1,4-dimethyl-2,3-dihydroquinoxalin-6-yl)cyclopentyl]methanamine
CID 117403045
[1-(2-methyl-1-benzofuran-5-yl)cyclohexyl]methanamine
CID 117360718
[1-(4-propan-2-ylisoquinolin-7-yl)cyclopentyl]methanamine
CID 117424911
[1-(1-methyl-2,3-dihydroindol-6-yl)cyclohexyl]methanamine
CID 117363408
[1-(3-chloro-4-methylphenyl)cyclohexyl]methanamine
CID 83824553
[1-(5-methoxy-1-methylindol-4-yl)cyclopentyl]methanamine
CID 117399804
[1-(3-bromo-1-methylindazol-5-yl)cyclobutyl]methanamine
CID 117474548

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).