N-[2-(1H-indol-6-ylmethylamino)ethyl]-2-methylpropanamide

C15H21N3O — CID 102909292

IUPACN-[2-(1H-indol-6-ylmethylamino)ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCNCc1ccc2cc[nH]c2c1
InChIInChI=1S/C15H21N3O/c1-11(2)15(19)18-8-7-16-10-12-3-4-13-5-6-17-14(13)9-12/h3-6,9,11,16-17H,7-8,10H2,1-2H3,(H,18,19)
InChIKeyBDJRSMMMPZTBNM-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.03
Rot. Bonds6

About N-[2-(1H-indol-6-ylmethylamino)ethyl]-2-methylpropanamide

N-[2-(1H-indol-6-ylmethylamino)ethyl]-2-methylpropanamide (PubChem CID 102909292) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[2-(1H-indol-6-ylmethylamino)ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(1H-indol-6-ylmethylamino)ethyl]-2-methylpropanamide
PubChem CID102909292
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-[2-(1H-indol-6-ylmethylamino)ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCNCc1ccc2cc[nH]c2c1
InChIInChI=1S/C15H21N3O/c1-11(2)15(19)18-8-7-16-10-12-3-4-13-5-6-17-14(13)9-12/h3-6,9,11,16-17H,7-8,10H2,1-2H3,(H,18,19)
InChIKeyBDJRSMMMPZTBNM-UHFFFAOYSA-N
XLogP2.03
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(1H-indol-6-ylmethylamino)ethyl]-2-methylpropanamide with MolForge

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

Launch Full Analysis

Related Compounds

3-(1H-indol-6-ylmethylamino)-N-(2-methylpropyl)propanamide
CID 102911831
N-(1H-indol-6-ylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 102909156
N-(1H-indol-6-ylmethyl)butan-1-amine
CID 63749151
tert-butyl N-[2-(1H-indol-6-ylmethylamino)ethyl]-N-methylcarbamate
CID 107244952
N-(1H-indol-6-ylmethyl)-2-(4-methoxyphenyl)ethanamine
CID 53274315
N-[2-[(4-bromo-3-fluorophenyl)methylamino]ethyl]-2-methylpropanamide
CID 81002137
N-(1H-indol-6-ylmethyl)but-2-yn-1-amine
CID 102911908
N-(1H-indol-6-ylmethyl)-2-phenylsulfanylethanamine
CID 102910230
N-benzyl-2-(1H-indol-6-yl)acetamide
CID 54366810
N-(1H-indol-6-ylmethyl)-2-(4-methylcyclohexyl)ethanamine
CID 102911023
2-(3-chlorophenyl)-N-(1H-indol-6-ylmethyl)ethanamine
CID 53274413
N-(1H-indol-6-ylmethyl)-2-isocyanoacetamide
CID 101429120

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-6-ylmethylamino)ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-(1H-indol-6-ylmethylamino)ethyl]-2-methylpropanamide (CID 102909292) is N-[2-(1H-indol-6-ylmethylamino)ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(1H-indol-6-ylmethylamino)ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-(1H-indol-6-ylmethylamino)ethyl]-2-methylpropanamide is CC(C)C(=O)NCCNCc1ccc2cc[nH]c2c1.
What is the InChIKey of N-[2-(1H-indol-6-ylmethylamino)ethyl]-2-methylpropanamide?
The InChIKey is BDJRSMMMPZTBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11(2)15(19)18-8-7-16-10-12-3-4-13-5-6-17-14(13)9-12/h3-6,9,11,16-17H,7-8,10H2,1-2H3,(H,18,19).
What are the key properties of N-[2-(1H-indol-6-ylmethylamino)ethyl]-2-methylpropanamide?
N-[2-(1H-indol-6-ylmethylamino)ethyl]-2-methylpropanamide has a molecular weight of 259.35 g/mol, XLogP of 2.03, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-6-ylmethylamino)ethyl]-2-methylpropanamide is sourced from PubChem (CID 102909292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).