N-[[3-(2-aminoethyl)-5,7-dimethyl-1H-indol-2-yl]methyl]-N-methylprop-2-yn-1-amine

C17H23N3 — CID 162094017

IUPACN-[[3-(2-aminoethyl)-5,7-dimethyl-1H-indol-2-yl]methyl]-N-methylprop-2-yn-1-amine
SMILESC#CCN(C)Cc1[nH]c2c(C)cc(C)cc2c1CCN
InChIInChI=1S/C17H23N3/c1-5-8-20(4)11-16-14(6-7-18)15-10-12(2)9-13(3)17(15)19-16/h1,9-10,19H,6-8,11,18H2,2-4H3
InChIKeyHQGJWALFDVEVPR-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.35
Rot. Bonds5

About N-[[3-(2-aminoethyl)-5,7-dimethyl-1H-indol-2-yl]methyl]-N-methylprop-2-yn-1-amine

N-[[3-(2-aminoethyl)-5,7-dimethyl-1H-indol-2-yl]methyl]-N-methylprop-2-yn-1-amine (PubChem CID 162094017) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[[3-(2-aminoethyl)-5,7-dimethyl-1H-indol-2-yl]methyl]-N-methylprop-2-yn-1-amine.

Molecular Properties

Compound NameN-[[3-(2-aminoethyl)-5,7-dimethyl-1H-indol-2-yl]methyl]-N-methylprop-2-yn-1-amine
PubChem CID162094017
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-[[3-(2-aminoethyl)-5,7-dimethyl-1H-indol-2-yl]methyl]-N-methylprop-2-yn-1-amine
SMILESC#CCN(C)Cc1[nH]c2c(C)cc(C)cc2c1CCN
InChIInChI=1S/C17H23N3/c1-5-8-20(4)11-16-14(6-7-18)15-10-12(2)9-13(3)17(15)19-16/h1,9-10,19H,6-8,11,18H2,2-4H3
InChIKeyHQGJWALFDVEVPR-UHFFFAOYSA-N
XLogP2.35
TPSA45.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[5,7-dimethyl-2-[[methyl(prop-2-ynyl)amino]methyl]-1H-indol-3-yl]ethylazanide;(1S,9R)-4,6,11-trimethyl-13-methylidene-8,11-diaza-16-azanidatetracyclo[7.4.3.01,9.02,7]hexadeca-2,4,6-triene;bis(yttrium)
CID 162094016
4-[5,7-dimethyl-2-(4-methylphenyl)-1H-indol-3-yl]butan-1-amine
CID 4603225
4-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl-1H-indol-3-yl]butan-1-amine
CID 4566691
N-methyl-1-(3,5,7-trimethyl-1H-indol-2-yl)methanamine
CID 83859630
3-methyl-3-(2,5,7-trimethyl-1H-indol-3-yl)butan-1-amine
CID 84631671
(5,7-dimethyl-3-propan-2-yl-1H-indol-2-yl)methanamine
CID 84622450
N'-methyl-N'-[(2,4,6-trimethylphenyl)methyl]propane-1,3-diamine
CID 62543775
4-[5,7-dimethyl-2-(3-methylthiophen-2-yl)-1H-indol-3-yl]butan-1-amine
CID 5140207
4-[2-(3-chloro-2-pyridinyl)-5,7-dimethyl-1H-indol-3-yl]butan-1-amine
CID 3434232
4-[2-(2-methoxy-3-methylphenyl)-5,7-dimethyl-1H-indol-3-yl]butan-1-amine
CID 3991450
4-[2-(3-chloro-4-pyridinyl)-5,7-dimethyl-1H-indol-3-yl]butan-1-amine
CID 4689864
4-[5-chloro-7-methyl-2-(4-methylphenyl)-1H-indol-3-yl]butan-1-amine
CID 5099960

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-aminoethyl)-5,7-dimethyl-1H-indol-2-yl]methyl]-N-methylprop-2-yn-1-amine?
The IUPAC name of N-[[3-(2-aminoethyl)-5,7-dimethyl-1H-indol-2-yl]methyl]-N-methylprop-2-yn-1-amine (CID 162094017) is N-[[3-(2-aminoethyl)-5,7-dimethyl-1H-indol-2-yl]methyl]-N-methylprop-2-yn-1-amine.
What is the SMILES notation for N-[[3-(2-aminoethyl)-5,7-dimethyl-1H-indol-2-yl]methyl]-N-methylprop-2-yn-1-amine?
The canonical SMILES for N-[[3-(2-aminoethyl)-5,7-dimethyl-1H-indol-2-yl]methyl]-N-methylprop-2-yn-1-amine is C#CCN(C)Cc1[nH]c2c(C)cc(C)cc2c1CCN.
What is the InChIKey of N-[[3-(2-aminoethyl)-5,7-dimethyl-1H-indol-2-yl]methyl]-N-methylprop-2-yn-1-amine?
The InChIKey is HQGJWALFDVEVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-5-8-20(4)11-16-14(6-7-18)15-10-12(2)9-13(3)17(15)19-16/h1,9-10,19H,6-8,11,18H2,2-4H3.
What are the key properties of N-[[3-(2-aminoethyl)-5,7-dimethyl-1H-indol-2-yl]methyl]-N-methylprop-2-yn-1-amine?
N-[[3-(2-aminoethyl)-5,7-dimethyl-1H-indol-2-yl]methyl]-N-methylprop-2-yn-1-amine has a molecular weight of 269.39 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-aminoethyl)-5,7-dimethyl-1H-indol-2-yl]methyl]-N-methylprop-2-yn-1-amine is sourced from PubChem (CID 162094017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).