4-ethyl-2-(1H-indol-3-yl)cyclohexan-1-amine

C16H22N2 — CID 112742433

IUPAC4-ethyl-2-(1H-indol-3-yl)cyclohexan-1-amine
SMILESCCC1CCC(N)C(c2c[nH]c3ccccc23)C1
InChIInChI=1S/C16H22N2/c1-2-11-7-8-15(17)13(9-11)14-10-18-16-6-4-3-5-12(14)16/h3-6,10-11,13,15,18H,2,7-9,17H2,1H3
InChIKeyGQTMFDNBSCRCGI-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.79
Rot. Bonds2

About 4-ethyl-2-(1H-indol-3-yl)cyclohexan-1-amine

4-ethyl-2-(1H-indol-3-yl)cyclohexan-1-amine (PubChem CID 112742433) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 4-ethyl-2-(1H-indol-3-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-2-(1H-indol-3-yl)cyclohexan-1-amine
PubChem CID112742433
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name4-ethyl-2-(1H-indol-3-yl)cyclohexan-1-amine
SMILESCCC1CCC(N)C(c2c[nH]c3ccccc23)C1
InChIInChI=1S/C16H22N2/c1-2-11-7-8-15(17)13(9-11)14-10-18-16-6-4-3-5-12(14)16/h3-6,10-11,13,15,18H,2,7-9,17H2,1H3
InChIKeyGQTMFDNBSCRCGI-UHFFFAOYSA-N
XLogP3.79
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethyl-2-[2-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 81014823
3-(1H-indol-3-yl)cyclopentan-1-amine
CID 22386576
2-naphthalen-1-yl-4-propylcyclohexan-1-amine
CID 81014619
4-ethyl-2-(2,4,5-trimethylphenyl)cyclohexan-1-amine
CID 81015045
2-(2,5-dimethylphenyl)-4-ethylcyclohexan-1-amine
CID 81014170
ethane;3-piperidin-4-yl-1H-indole
CID 91036207
2-[3-(1H-indol-3-yl)pyrrolidin-2-yl]ethanamine
CID 82618895
(1S,3R)-3-(1H-indol-3-yl)-2,3-dihydro-1H-inden-1-amine
CID 69032046
3-(3-methylpiperazin-2-yl)-1H-indole
CID 116829242
2-(1H-indol-3-yl)-5-methylcyclohexane-1-carbaldehyde
CID 174583478
methane;3-piperidin-4-yl-1H-indole
CID 70444570
2-(3,4-dihydro-2H-chromen-8-yl)-4-ethylcyclohexan-1-amine
CID 114747529

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(1H-indol-3-yl)cyclohexan-1-amine?
The IUPAC name of 4-ethyl-2-(1H-indol-3-yl)cyclohexan-1-amine (CID 112742433) is 4-ethyl-2-(1H-indol-3-yl)cyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-2-(1H-indol-3-yl)cyclohexan-1-amine?
The canonical SMILES for 4-ethyl-2-(1H-indol-3-yl)cyclohexan-1-amine is CCC1CCC(N)C(c2c[nH]c3ccccc23)C1.
What is the InChIKey of 4-ethyl-2-(1H-indol-3-yl)cyclohexan-1-amine?
The InChIKey is GQTMFDNBSCRCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-2-11-7-8-15(17)13(9-11)14-10-18-16-6-4-3-5-12(14)16/h3-6,10-11,13,15,18H,2,7-9,17H2,1H3.
What are the key properties of 4-ethyl-2-(1H-indol-3-yl)cyclohexan-1-amine?
4-ethyl-2-(1H-indol-3-yl)cyclohexan-1-amine has a molecular weight of 242.37 g/mol, XLogP of 3.79, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(1H-indol-3-yl)cyclohexan-1-amine is sourced from PubChem (CID 112742433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).