4-(5,7-dimethoxyindol-1-yl)butan-1-amine

C14H20N2O2 — CID 83968623

IUPAC4-(5,7-dimethoxyindol-1-yl)butan-1-amine
SMILESCOc1cc(OC)c2c(ccn2CCCCN)c1
InChIInChI=1S/C14H20N2O2/c1-17-12-9-11-5-8-16(7-4-3-6-15)14(11)13(10-12)18-2/h5,8-10H,3-4,6-7,15H2,1-2H3
InChIKeyHBBTUQZBUJGQBD-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.40
Rot. Bonds6

About 4-(5,7-dimethoxyindol-1-yl)butan-1-amine

4-(5,7-dimethoxyindol-1-yl)butan-1-amine (PubChem CID 83968623) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-(5,7-dimethoxyindol-1-yl)butan-1-amine.

Molecular Properties

Compound Name4-(5,7-dimethoxyindol-1-yl)butan-1-amine
PubChem CID83968623
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4-(5,7-dimethoxyindol-1-yl)butan-1-amine
SMILESCOc1cc(OC)c2c(ccn2CCCCN)c1
InChIInChI=1S/C14H20N2O2/c1-17-12-9-11-5-8-16(7-4-3-6-15)14(11)13(10-12)18-2/h5,8-10H,3-4,6-7,15H2,1-2H3
InChIKeyHBBTUQZBUJGQBD-UHFFFAOYSA-N
XLogP2.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(5,7-dimethoxyindol-1-yl)ethanamine
CID 82494071
5,7-dimethoxyindol-1-amine
CID 96624254
4-(5,7-dimethylindol-1-yl)butan-1-amine
CID 83968682
4-(5-propan-2-yloxyindol-1-yl)butan-1-amine
CID 80643163
3-(5,7-dimethylindol-1-yl)propan-1-amine
CID 82491687
3-aminopropyl-tris(2,4,6-trimethoxyphenyl)phosphanium
CID 71361775
1-(5-iodopentyl)-5-methoxyindole
CID 141021512
6-(5-methoxyindol-1-yl)hexan-1-ol
CID 107707082
N'-(2,4-dimethoxyphenyl)butane-1,4-diamine
CID 82114957
2-(4-aminobutyl)-6-butoxyisoquinolin-1-one
CID 82063089
1-[4-(4-chlorophenoxy)butyl]-5-methoxyindole
CID 110831449
3-(5-methoxyindol-1-yl)propanamide
CID 116619447

Frequently Asked Questions

What is the IUPAC name of 4-(5,7-dimethoxyindol-1-yl)butan-1-amine?
The IUPAC name of 4-(5,7-dimethoxyindol-1-yl)butan-1-amine (CID 83968623) is 4-(5,7-dimethoxyindol-1-yl)butan-1-amine.
What is the SMILES notation for 4-(5,7-dimethoxyindol-1-yl)butan-1-amine?
The canonical SMILES for 4-(5,7-dimethoxyindol-1-yl)butan-1-amine is COc1cc(OC)c2c(ccn2CCCCN)c1.
What is the InChIKey of 4-(5,7-dimethoxyindol-1-yl)butan-1-amine?
The InChIKey is HBBTUQZBUJGQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-17-12-9-11-5-8-16(7-4-3-6-15)14(11)13(10-12)18-2/h5,8-10H,3-4,6-7,15H2,1-2H3.
What are the key properties of 4-(5,7-dimethoxyindol-1-yl)butan-1-amine?
4-(5,7-dimethoxyindol-1-yl)butan-1-amine has a molecular weight of 248.33 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,7-dimethoxyindol-1-yl)butan-1-amine is sourced from PubChem (CID 83968623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).