2-methyl-N-[[1-(2-methylidenebutyl)indol-5-yl]methyl]propan-2-amine

C18H26N2 — CID 66038321

IUPAC2-methyl-N-[[1-(2-methylidenebutyl)indol-5-yl]methyl]propan-2-amine
SMILESC=C(CC)Cn1ccc2cc(CNC(C)(C)C)ccc21
InChIInChI=1S/C18H26N2/c1-6-14(2)13-20-10-9-16-11-15(7-8-17(16)20)12-19-18(3,4)5/h7-11,19H,2,6,12-13H2,1,3-5H3
InChIKeyLSRRIVFPJMOAMC-UHFFFAOYSA-N
MW270.42 g/mol
LogP4.50
Rot. Bonds5

About 2-methyl-N-[[1-(2-methylidenebutyl)indol-5-yl]methyl]propan-2-amine

2-methyl-N-[[1-(2-methylidenebutyl)indol-5-yl]methyl]propan-2-amine (PubChem CID 66038321) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-methyl-N-[[1-(2-methylidenebutyl)indol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(2-methylidenebutyl)indol-5-yl]methyl]propan-2-amine
PubChem CID66038321
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name2-methyl-N-[[1-(2-methylidenebutyl)indol-5-yl]methyl]propan-2-amine
SMILESC=C(CC)Cn1ccc2cc(CNC(C)(C)C)ccc21
InChIInChI=1S/C18H26N2/c1-6-14(2)13-20-10-9-16-11-15(7-8-17(16)20)12-19-18(3,4)5/h7-11,19H,2,6,12-13H2,1,3-5H3
InChIKeyLSRRIVFPJMOAMC-UHFFFAOYSA-N
XLogP4.50
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-N-[[1-(2-methylidenebutyl)indol-5-yl]methyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(2-methylidenebutyl)indol-5-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-(2-methylidenebutyl)indol-5-yl]methyl]propan-2-amine (CID 66038321) is 2-methyl-N-[[1-(2-methylidenebutyl)indol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-(2-methylidenebutyl)indol-5-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-(2-methylidenebutyl)indol-5-yl]methyl]propan-2-amine is C=C(CC)Cn1ccc2cc(CNC(C)(C)C)ccc21.
What is the InChIKey of 2-methyl-N-[[1-(2-methylidenebutyl)indol-5-yl]methyl]propan-2-amine?
The InChIKey is LSRRIVFPJMOAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-6-14(2)13-20-10-9-16-11-15(7-8-17(16)20)12-19-18(3,4)5/h7-11,19H,2,6,12-13H2,1,3-5H3.
What are the key properties of 2-methyl-N-[[1-(2-methylidenebutyl)indol-5-yl]methyl]propan-2-amine?
2-methyl-N-[[1-(2-methylidenebutyl)indol-5-yl]methyl]propan-2-amine has a molecular weight of 270.42 g/mol, XLogP of 4.50, 5 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-methylidenebutyl)indol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 66038321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).