2-methyl-N-[[1-(2-methylprop-2-enyl)indol-7-yl]methyl]propan-2-amine

C17H24N2 — CID 79185979

IUPAC2-methyl-N-[[1-(2-methylprop-2-enyl)indol-7-yl]methyl]propan-2-amine
SMILESC=C(C)Cn1ccc2cccc(CNC(C)(C)C)c21
InChIInChI=1S/C17H24N2/c1-13(2)12-19-10-9-14-7-6-8-15(16(14)19)11-18-17(3,4)5/h6-10,18H,1,11-12H2,2-5H3
InChIKeyAXEOERGZKVXBBA-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.11
Rot. Bonds4

About 2-methyl-N-[[1-(2-methylprop-2-enyl)indol-7-yl]methyl]propan-2-amine

2-methyl-N-[[1-(2-methylprop-2-enyl)indol-7-yl]methyl]propan-2-amine (PubChem CID 79185979) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-methyl-N-[[1-(2-methylprop-2-enyl)indol-7-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(2-methylprop-2-enyl)indol-7-yl]methyl]propan-2-amine
PubChem CID79185979
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name2-methyl-N-[[1-(2-methylprop-2-enyl)indol-7-yl]methyl]propan-2-amine
SMILESC=C(C)Cn1ccc2cccc(CNC(C)(C)C)c21
InChIInChI=1S/C17H24N2/c1-13(2)12-19-10-9-14-7-6-8-15(16(14)19)11-18-17(3,4)5/h6-10,18H,1,11-12H2,2-5H3
InChIKeyAXEOERGZKVXBBA-UHFFFAOYSA-N
XLogP4.11
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(2-methylprop-2-enyl)indol-7-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-(2-methylprop-2-enyl)indol-7-yl]methyl]propan-2-amine (CID 79185979) is 2-methyl-N-[[1-(2-methylprop-2-enyl)indol-7-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-(2-methylprop-2-enyl)indol-7-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-(2-methylprop-2-enyl)indol-7-yl]methyl]propan-2-amine is C=C(C)Cn1ccc2cccc(CNC(C)(C)C)c21.
What is the InChIKey of 2-methyl-N-[[1-(2-methylprop-2-enyl)indol-7-yl]methyl]propan-2-amine?
The InChIKey is AXEOERGZKVXBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-13(2)12-19-10-9-14-7-6-8-15(16(14)19)11-18-17(3,4)5/h6-10,18H,1,11-12H2,2-5H3.
What are the key properties of 2-methyl-N-[[1-(2-methylprop-2-enyl)indol-7-yl]methyl]propan-2-amine?
2-methyl-N-[[1-(2-methylprop-2-enyl)indol-7-yl]methyl]propan-2-amine has a molecular weight of 256.39 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(2-methylprop-2-enyl)indol-7-yl]methyl]propan-2-amine is sourced from PubChem (CID 79185979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).