N-[[1-(3-methoxy-3-methylbutyl)indol-5-yl]methyl]ethanamine

C17H26N2O — CID 103035023

IUPACN-[[1-(3-methoxy-3-methylbutyl)indol-5-yl]methyl]ethanamine
SMILESCCNCc1ccc2c(ccn2CCC(C)(C)OC)c1
InChIInChI=1S/C17H26N2O/c1-5-18-13-14-6-7-16-15(12-14)8-10-19(16)11-9-17(2,3)20-4/h6-8,10,12,18H,5,9,11,13H2,1-4H3
InChIKeyMBTQFMNEDBSAQI-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.57
Rot. Bonds7

About N-[[1-(3-methoxy-3-methylbutyl)indol-5-yl]methyl]ethanamine

N-[[1-(3-methoxy-3-methylbutyl)indol-5-yl]methyl]ethanamine (PubChem CID 103035023) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[[1-(3-methoxy-3-methylbutyl)indol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(3-methoxy-3-methylbutyl)indol-5-yl]methyl]ethanamine
PubChem CID103035023
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[[1-(3-methoxy-3-methylbutyl)indol-5-yl]methyl]ethanamine
SMILESCCNCc1ccc2c(ccn2CCC(C)(C)OC)c1
InChIInChI=1S/C17H26N2O/c1-5-18-13-14-6-7-16-15(12-14)8-10-19(16)11-9-17(2,3)20-4/h6-8,10,12,18H,5,9,11,13H2,1-4H3
InChIKeyMBTQFMNEDBSAQI-UHFFFAOYSA-N
XLogP3.57
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(ethylaminomethyl)indol-1-yl]ethanol
CID 102915827
3-[5-(ethylaminomethyl)indol-1-yl]propan-1-ol
CID 102915831
1-(3-methoxy-3-methylbutyl)indol-5-amine
CID 103033678
N-[[1-(2-ethylsulfanylethyl)indol-5-yl]methyl]ethanamine
CID 113474442
methyl 2-[5-(ethylaminomethyl)indol-1-yl]acetate
CID 102915843
N-[[1-(2-ethylbutyl)indol-5-yl]methyl]ethanamine
CID 82925492
2-[5-(ethylaminomethyl)indol-1-yl]acetonitrile
CID 102915930
N-ethyl-2-[5-(ethylaminomethyl)indol-1-yl]acetamide
CID 102915889
3-[5-(ethylaminomethyl)indol-1-yl]propane-1,2-diol
CID 102915922
2,2-dimethyl-5-[5-(methylaminomethyl)indol-1-yl]pentanenitrile
CID 102915726
2-methoxy-N-[[1-(4-methoxybutyl)indol-5-yl]methyl]ethanamine
CID 104649955
4-[6-[(2-methoxyethylamino)methyl]indol-1-yl]-2-methylbutan-2-ol
CID 102917022

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methoxy-3-methylbutyl)indol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(3-methoxy-3-methylbutyl)indol-5-yl]methyl]ethanamine (CID 103035023) is N-[[1-(3-methoxy-3-methylbutyl)indol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(3-methoxy-3-methylbutyl)indol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(3-methoxy-3-methylbutyl)indol-5-yl]methyl]ethanamine is CCNCc1ccc2c(ccn2CCC(C)(C)OC)c1.
What is the InChIKey of N-[[1-(3-methoxy-3-methylbutyl)indol-5-yl]methyl]ethanamine?
The InChIKey is MBTQFMNEDBSAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-5-18-13-14-6-7-16-15(12-14)8-10-19(16)11-9-17(2,3)20-4/h6-8,10,12,18H,5,9,11,13H2,1-4H3.
What are the key properties of N-[[1-(3-methoxy-3-methylbutyl)indol-5-yl]methyl]ethanamine?
N-[[1-(3-methoxy-3-methylbutyl)indol-5-yl]methyl]ethanamine has a molecular weight of 274.41 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methoxy-3-methylbutyl)indol-5-yl]methyl]ethanamine is sourced from PubChem (CID 103035023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).