2-(4-methylcyclohexyl)-2-(1-methylindol-3-yl)ethanamine

C18H26N2 — CID 83976772

IUPAC2-(4-methylcyclohexyl)-2-(1-methylindol-3-yl)ethanamine
SMILESCC1CCC(C(CN)c2cn(C)c3ccccc23)CC1
InChIInChI=1S/C18H26N2/c1-13-7-9-14(10-8-13)16(11-19)17-12-20(2)18-6-4-3-5-15(17)18/h3-6,12-14,16H,7-11,19H2,1-2H3
InChIKeyXWFYWYFCOLQQFA-UHFFFAOYSA-N
MW270.42 g/mol
LogP4.05
Rot. Bonds3

About 2-(4-methylcyclohexyl)-2-(1-methylindol-3-yl)ethanamine

2-(4-methylcyclohexyl)-2-(1-methylindol-3-yl)ethanamine (PubChem CID 83976772) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-(4-methylcyclohexyl)-2-(1-methylindol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(4-methylcyclohexyl)-2-(1-methylindol-3-yl)ethanamine
PubChem CID83976772
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name2-(4-methylcyclohexyl)-2-(1-methylindol-3-yl)ethanamine
SMILESCC1CCC(C(CN)c2cn(C)c3ccccc23)CC1
InChIInChI=1S/C18H26N2/c1-13-7-9-14(10-8-13)16(11-19)17-12-20(2)18-6-4-3-5-15(17)18/h3-6,12-14,16H,7-11,19H2,1-2H3
InChIKeyXWFYWYFCOLQQFA-UHFFFAOYSA-N
XLogP4.05
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-2-(1-methylindol-3-yl)ethanamine
CID 10633946
2-(1-ethylindol-3-yl)-2-(1-ethylpiperidin-4-yl)ethanamine
CID 83976864
(1R)-2-amino-1-(1-methylindol-3-yl)ethanol
CID 39238214
2-amino-1-(1-methylindol-3-yl)ethanethiol
CID 116868623
cyclopentyl-(1-methylindol-3-yl)methanamine
CID 67858246
3-cyclopropyl-2-(1-methylindol-3-yl)propanamide
CID 67395297
3-[(S)-cyclopropyl(piperazin-1-yl)methyl]-1-methylindole;dihydrochloride
CID 171278738
1-methyl-3-propan-2-ylindole
CID 10942942
3-methoxy-2-(1-methylindol-3-yl)propan-1-amine
CID 116835610
1-methyl-3-[1-(1-methylindol-3-yl)butyl]indole
CID 22019303
(1S)-3-amino-1-(1-methylindol-3-yl)propan-1-ol
CID 95438673
2,2-dimethyl-1-(1-methylindol-3-yl)propane-1,3-diamine
CID 116933418

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylcyclohexyl)-2-(1-methylindol-3-yl)ethanamine?
The IUPAC name of 2-(4-methylcyclohexyl)-2-(1-methylindol-3-yl)ethanamine (CID 83976772) is 2-(4-methylcyclohexyl)-2-(1-methylindol-3-yl)ethanamine.
What is the SMILES notation for 2-(4-methylcyclohexyl)-2-(1-methylindol-3-yl)ethanamine?
The canonical SMILES for 2-(4-methylcyclohexyl)-2-(1-methylindol-3-yl)ethanamine is CC1CCC(C(CN)c2cn(C)c3ccccc23)CC1.
What is the InChIKey of 2-(4-methylcyclohexyl)-2-(1-methylindol-3-yl)ethanamine?
The InChIKey is XWFYWYFCOLQQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-13-7-9-14(10-8-13)16(11-19)17-12-20(2)18-6-4-3-5-15(17)18/h3-6,12-14,16H,7-11,19H2,1-2H3.
What are the key properties of 2-(4-methylcyclohexyl)-2-(1-methylindol-3-yl)ethanamine?
2-(4-methylcyclohexyl)-2-(1-methylindol-3-yl)ethanamine has a molecular weight of 270.42 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohexyl)-2-(1-methylindol-3-yl)ethanamine is sourced from PubChem (CID 83976772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).