N-[[2,3-dimethyl-1-(2-methylprop-2-enyl)indol-5-yl]methyl]-2-methoxyethanamine

C18H26N2O — CID 79186311

IUPACN-[[2,3-dimethyl-1-(2-methylprop-2-enyl)indol-5-yl]methyl]-2-methoxyethanamine
SMILESC=C(C)Cn1c(C)c(C)c2cc(CNCCOC)ccc21
InChIInChI=1S/C18H26N2O/c1-13(2)12-20-15(4)14(3)17-10-16(6-7-18(17)20)11-19-8-9-21-5/h6-7,10,19H,1,8-9,11-12H2,2-5H3
InChIKeyNFWMQCGKCGIIFE-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.57
Rot. Bonds7

About N-[[2,3-dimethyl-1-(2-methylprop-2-enyl)indol-5-yl]methyl]-2-methoxyethanamine

N-[[2,3-dimethyl-1-(2-methylprop-2-enyl)indol-5-yl]methyl]-2-methoxyethanamine (PubChem CID 79186311) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[[2,3-dimethyl-1-(2-methylprop-2-enyl)indol-5-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[2,3-dimethyl-1-(2-methylprop-2-enyl)indol-5-yl]methyl]-2-methoxyethanamine
PubChem CID79186311
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-[[2,3-dimethyl-1-(2-methylprop-2-enyl)indol-5-yl]methyl]-2-methoxyethanamine
SMILESC=C(C)Cn1c(C)c(C)c2cc(CNCCOC)ccc21
InChIInChI=1S/C18H26N2O/c1-13(2)12-20-15(4)14(3)17-10-16(6-7-18(17)20)11-19-8-9-21-5/h6-7,10,19H,1,8-9,11-12H2,2-5H3
InChIKeyNFWMQCGKCGIIFE-UHFFFAOYSA-N
XLogP3.57
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[[2,3-dimethyl-1-(2-methylprop-2-enyl)indol-5-yl]methyl]ethanamine
CID 79186198
N-[[2,3-dimethyl-1-(3-methylbut-3-enyl)indol-5-yl]methyl]propan-1-amine
CID 114476978
2-methoxy-N-[[1-(2-methylprop-2-enyl)indol-6-yl]methyl]ethanamine
CID 79185867
2-methoxy-N-[[1-(2-methylprop-2-enyl)pyrazol-4-yl]methyl]ethanamine
CID 79185622
2-methoxy-N-[[4-(3-methylbut-3-enylsulfanyl)phenyl]methyl]ethanamine
CID 114476934
methyl 2-[5-[(2-methoxyethylamino)methyl]indol-1-yl]acetate
CID 102916342
2-methoxy-N-[[4-(2-methylprop-2-enoxy)-3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 63319465
2-methoxy-N-[[2-methyl-1-(3-methylbut-3-enyl)pyrrol-3-yl]methyl]ethanamine
CID 114196122
2-methoxy-N-[[4-(2-methylprop-2-enoxy)-3-nitrophenyl]methyl]ethanamine
CID 63057045
2-methoxy-N-[[3-(3-methylbut-3-enoxy)-4-nitrophenyl]methyl]ethanamine
CID 114471629
2-methoxy-N-[[1-(4-methoxybutyl)indol-5-yl]methyl]ethanamine
CID 104649955
1-[1-(3-ethoxypropyl)-2,3-dimethylindol-5-yl]-N-methylmethanamine
CID 65177840

Frequently Asked Questions

What is the IUPAC name of N-[[2,3-dimethyl-1-(2-methylprop-2-enyl)indol-5-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[2,3-dimethyl-1-(2-methylprop-2-enyl)indol-5-yl]methyl]-2-methoxyethanamine (CID 79186311) is N-[[2,3-dimethyl-1-(2-methylprop-2-enyl)indol-5-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[2,3-dimethyl-1-(2-methylprop-2-enyl)indol-5-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[2,3-dimethyl-1-(2-methylprop-2-enyl)indol-5-yl]methyl]-2-methoxyethanamine is C=C(C)Cn1c(C)c(C)c2cc(CNCCOC)ccc21.
What is the InChIKey of N-[[2,3-dimethyl-1-(2-methylprop-2-enyl)indol-5-yl]methyl]-2-methoxyethanamine?
The InChIKey is NFWMQCGKCGIIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-13(2)12-20-15(4)14(3)17-10-16(6-7-18(17)20)11-19-8-9-21-5/h6-7,10,19H,1,8-9,11-12H2,2-5H3.
What are the key properties of N-[[2,3-dimethyl-1-(2-methylprop-2-enyl)indol-5-yl]methyl]-2-methoxyethanamine?
N-[[2,3-dimethyl-1-(2-methylprop-2-enyl)indol-5-yl]methyl]-2-methoxyethanamine has a molecular weight of 286.42 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-[[2,3-dimethyl-1-(2-methylprop-2-enyl)indol-5-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 79186311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).