N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)-2-propan-2-ylcyclohexan-1-amine

C31H50N2O — CID 174722109

IUPACN-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)-2-propan-2-ylcyclohexan-1-amine
SMILESCOc1ccc2[nH]cc(CCN(C3CC(C)CCC3C(C)C)C3CC(C)CCC3C(C)C)c2c1
InChIInChI=1S/C31H50N2O/c1-20(2)26-11-8-22(5)16-30(26)33(31-17-23(6)9-12-27(31)21(3)4)15-14-24-19-32-29-13-10-25(34-7)18-28(24)29/h10,13,18-23,26-27,30-32H,8-9,11-12,14-17H2,1-7H3
InChIKeyCMXUTQNOVSTZQT-UHFFFAOYSA-N
MW466.75 g/mol
LogP7.94
Rot. Bonds8

About N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)-2-propan-2-ylcyclohexan-1-amine

N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)-2-propan-2-ylcyclohexan-1-amine (PubChem CID 174722109) has the molecular formula C31H50N2O and a molecular weight of 466.75 g/mol. Its IUPAC name is N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)-2-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)-2-propan-2-ylcyclohexan-1-amine
PubChem CID174722109
Molecular FormulaC31H50N2O
Molecular Weight466.75 g/mol
Exact Mass466.39
IUPAC NameN-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)-2-propan-2-ylcyclohexan-1-amine
SMILESCOc1ccc2[nH]cc(CCN(C3CC(C)CCC3C(C)C)C3CC(C)CCC3C(C)C)c2c1
InChIInChI=1S/C31H50N2O/c1-20(2)26-11-8-22(5)16-30(26)33(31-17-23(6)9-12-27(31)21(3)4)15-14-24-19-32-29-13-10-25(34-7)18-28(24)29/h10,13,18-23,26-27,30-32H,8-9,11-12,14-17H2,1-7H3
InChIKeyCMXUTQNOVSTZQT-UHFFFAOYSA-N
XLogP7.94
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.75
LogP ≤ 57.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)-2-propan-2-ylcyclohexan-1-amine with MolForge

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Related Compounds

N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-methylcyclopropanamine
CID 67231451
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine;hydrochloride
CID 24802109
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine;hydrate;hydrochloride
CID 71311787
3-[2-(2,4-dimethylazetidin-1-yl)ethyl]-5-methoxy-1H-indole
CID 170277434
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 74405227
3-(2-cyclohexylethyl)-5-methoxy-1H-indole
CID 106985417
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-methylacetamide
CID 22367215
2,2,2-trifluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)ethanamine
CID 172624963
N-hydroxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 22144617
bis[(4-fluorophenyl)methyl]-[2-(5-methoxy-1H-indol-3-yl)ethyl]azanium chloride
CID 44661042
1-[2-(5-methoxy-1H-indol-3-yl)ethyl]piperidine-3,5-diamine
CID 102230597
3-(2-ethoxyethyl)-5-methoxy-1H-indole
CID 167475271

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)-2-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)-2-propan-2-ylcyclohexan-1-amine (CID 174722109) is N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)-2-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)-2-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)-2-propan-2-ylcyclohexan-1-amine is COc1ccc2[nH]cc(CCN(C3CC(C)CCC3C(C)C)C3CC(C)CCC3C(C)C)c2c1.
What is the InChIKey of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)-2-propan-2-ylcyclohexan-1-amine?
The InChIKey is CMXUTQNOVSTZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H50N2O/c1-20(2)26-11-8-22(5)16-30(26)33(31-17-23(6)9-12-27(31)21(3)4)15-14-24-19-32-29-13-10-25(34-7)18-28(24)29/h10,13,18-23,26-27,30-32H,8-9,11-12,14-17H2,1-7H3.
What are the key properties of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)-2-propan-2-ylcyclohexan-1-amine?
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)-2-propan-2-ylcyclohexan-1-amine has a molecular weight of 466.75 g/mol, XLogP of 7.94, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)-2-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 174722109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).