3-[(3-methoxy-2,3-dihydroindigol-1-yl)methoxy]-N,N-dimethylpropan-1-amine

C11H22InNO2 — CID 140972293

IUPAC3-[(3-methoxy-2,3-dihydroindigol-1-yl)methoxy]-N,N-dimethylpropan-1-amine
SMILESCOC1C=C[In](COCCCN(C)C)C1
InChIInChI=1S/C6H14NO.C5H8O.In/c1-7(2)5-4-6-8-3;1-4-5(2)6-3;/h3-6H2,1-2H3;1,4-5H,2H2,3H3;
InChIKeyJCBVXHRCXQIWDW-UHFFFAOYSA-N
MW315.12 g/mol
LogP1.11
Rot. Bonds7

About 3-[(3-methoxy-2,3-dihydroindigol-1-yl)methoxy]-N,N-dimethylpropan-1-amine

3-[(3-methoxy-2,3-dihydroindigol-1-yl)methoxy]-N,N-dimethylpropan-1-amine (PubChem CID 140972293) has the molecular formula C11H22InNO2 and a molecular weight of 315.12 g/mol. Its IUPAC name is 3-[(3-methoxy-2,3-dihydroindigol-1-yl)methoxy]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[(3-methoxy-2,3-dihydroindigol-1-yl)methoxy]-N,N-dimethylpropan-1-amine
PubChem CID140972293
Molecular FormulaC11H22InNO2
Molecular Weight315.12 g/mol
Exact Mass315.07
IUPAC Name3-[(3-methoxy-2,3-dihydroindigol-1-yl)methoxy]-N,N-dimethylpropan-1-amine
SMILESCOC1C=C[In](COCCCN(C)C)C1
InChIInChI=1S/C6H14NO.C5H8O.In/c1-7(2)5-4-6-8-3;1-4-5(2)6-3;/h3-6H2,1-2H3;1,4-5H,2H2,3H3;
InChIKeyJCBVXHRCXQIWDW-UHFFFAOYSA-N
XLogP1.11
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.12
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxy-2,3-dihydroindigol-1-yl)methoxy]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[(3-methoxy-2,3-dihydroindigol-1-yl)methoxy]-N,N-dimethylpropan-1-amine (CID 140972293) is 3-[(3-methoxy-2,3-dihydroindigol-1-yl)methoxy]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[(3-methoxy-2,3-dihydroindigol-1-yl)methoxy]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[(3-methoxy-2,3-dihydroindigol-1-yl)methoxy]-N,N-dimethylpropan-1-amine is COC1C=C[In](COCCCN(C)C)C1.
What is the InChIKey of 3-[(3-methoxy-2,3-dihydroindigol-1-yl)methoxy]-N,N-dimethylpropan-1-amine?
The InChIKey is JCBVXHRCXQIWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14NO.C5H8O.In/c1-7(2)5-4-6-8-3;1-4-5(2)6-3;/h3-6H2,1-2H3;1,4-5H,2H2,3H3;.
What are the key properties of 3-[(3-methoxy-2,3-dihydroindigol-1-yl)methoxy]-N,N-dimethylpropan-1-amine?
3-[(3-methoxy-2,3-dihydroindigol-1-yl)methoxy]-N,N-dimethylpropan-1-amine has a molecular weight of 315.12 g/mol, XLogP of 1.11, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxy-2,3-dihydroindigol-1-yl)methoxy]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 140972293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).