4-(6-methoxy-1H-indol-3-yl)butane-2,2-diamine

C13H19N3O — CID 19837016

IUPAC4-(6-methoxy-1H-indol-3-yl)butane-2,2-diamine
SMILESCOc1ccc2c(CCC(C)(N)N)c[nH]c2c1
InChIInChI=1S/C13H19N3O/c1-13(14,15)6-5-9-8-16-12-7-10(17-2)3-4-11(9)12/h3-4,7-8,16H,5-6,14-15H2,1-2H3
InChIKeyLVLMWACXLYHIHY-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.74
Rot. Bonds4

About 4-(6-methoxy-1H-indol-3-yl)butane-2,2-diamine

4-(6-methoxy-1H-indol-3-yl)butane-2,2-diamine (PubChem CID 19837016) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-(6-methoxy-1H-indol-3-yl)butane-2,2-diamine.

Molecular Properties

Compound Name4-(6-methoxy-1H-indol-3-yl)butane-2,2-diamine
PubChem CID19837016
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name4-(6-methoxy-1H-indol-3-yl)butane-2,2-diamine
SMILESCOc1ccc2c(CCC(C)(N)N)c[nH]c2c1
InChIInChI=1S/C13H19N3O/c1-13(14,15)6-5-9-8-16-12-7-10(17-2)3-4-11(9)12/h3-4,7-8,16H,5-6,14-15H2,1-2H3
InChIKeyLVLMWACXLYHIHY-UHFFFAOYSA-N
XLogP1.74
TPSA77.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 4-(6-methoxy-1H-indol-3-yl)butane-2,2-diamine 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-(6-methoxy-1H-indol-3-yl)propanenitrile
CID 82491461
6-methoxy-3-(3-methylpentyl)-1H-indole
CID 156642145
1-(6-methoxy-1H-indol-3-yl)propan-2-amine;hydrochloride
CID 2965218
6-methoxy-3-(2-nitroethyl)-1H-indole
CID 71331242
5-methoxy-3-(3,3,3-trifluoropropyl)-1H-indole
CID 102104245
2-[2-(6-methoxy-1H-indol-3-yl)ethylamino]acetonitrile
CID 19837019
1-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-2-methylbenzene-1,4-diamine
CID 143202760
6-methoxy-3-(piperidin-4-ylmethyl)-1H-indole
CID 82497673
2-fluoro-N-[1-(6-methoxy-1H-indol-3-yl)propan-2-yl]-2-methylpropan-1-amine
CID 130300765
N-[(4-chlorophenyl)methyl]-2-(6-methoxy-1H-indol-3-yl)ethanamine
CID 17053018
2-[6-(trifluoromethoxy)-1H-indol-3-yl]ethanamine
CID 34176010
N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-3,5-dimethylbenzamide
CID 4887560

Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxy-1H-indol-3-yl)butane-2,2-diamine?
The IUPAC name of 4-(6-methoxy-1H-indol-3-yl)butane-2,2-diamine (CID 19837016) is 4-(6-methoxy-1H-indol-3-yl)butane-2,2-diamine.
What is the SMILES notation for 4-(6-methoxy-1H-indol-3-yl)butane-2,2-diamine?
The canonical SMILES for 4-(6-methoxy-1H-indol-3-yl)butane-2,2-diamine is COc1ccc2c(CCC(C)(N)N)c[nH]c2c1.
What is the InChIKey of 4-(6-methoxy-1H-indol-3-yl)butane-2,2-diamine?
The InChIKey is LVLMWACXLYHIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-13(14,15)6-5-9-8-16-12-7-10(17-2)3-4-11(9)12/h3-4,7-8,16H,5-6,14-15H2,1-2H3.
What are the key properties of 4-(6-methoxy-1H-indol-3-yl)butane-2,2-diamine?
4-(6-methoxy-1H-indol-3-yl)butane-2,2-diamine has a molecular weight of 233.31 g/mol, XLogP of 1.74, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxy-1H-indol-3-yl)butane-2,2-diamine is sourced from PubChem (CID 19837016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).