3-(2,3-dihydroinden-1-ylideneamino)oxy-N,N-dimethylpropan-1-amine

C14H20N2O — CID 166558413

IUPAC3-(2,3-dihydroinden-1-ylideneamino)oxy-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCON=C1CCc2ccccc21
InChIInChI=1S/C14H20N2O/c1-16(2)10-5-11-17-15-14-9-8-12-6-3-4-7-13(12)14/h3-4,6-7H,5,8-11H2,1-2H3
InChIKeyKEDFIUSQUAJUGK-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.31
Rot. Bonds5

About 3-(2,3-dihydroinden-1-ylideneamino)oxy-N,N-dimethylpropan-1-amine

3-(2,3-dihydroinden-1-ylideneamino)oxy-N,N-dimethylpropan-1-amine (PubChem CID 166558413) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-(2,3-dihydroinden-1-ylideneamino)oxy-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(2,3-dihydroinden-1-ylideneamino)oxy-N,N-dimethylpropan-1-amine
PubChem CID166558413
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name3-(2,3-dihydroinden-1-ylideneamino)oxy-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCON=C1CCc2ccccc21
InChIInChI=1S/C14H20N2O/c1-16(2)10-5-11-17-15-14-9-8-12-6-3-4-7-13(12)14/h3-4,6-7H,5,8-11H2,1-2H3
InChIKeyKEDFIUSQUAJUGK-UHFFFAOYSA-N
XLogP2.31
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroinden-1-ylideneamino)oxy-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(2,3-dihydroinden-1-ylideneamino)oxy-N,N-dimethylpropan-1-amine (CID 166558413) is 3-(2,3-dihydroinden-1-ylideneamino)oxy-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(2,3-dihydroinden-1-ylideneamino)oxy-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(2,3-dihydroinden-1-ylideneamino)oxy-N,N-dimethylpropan-1-amine is CN(C)CCCON=C1CCc2ccccc21.
What is the InChIKey of 3-(2,3-dihydroinden-1-ylideneamino)oxy-N,N-dimethylpropan-1-amine?
The InChIKey is KEDFIUSQUAJUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-16(2)10-5-11-17-15-14-9-8-12-6-3-4-7-13(12)14/h3-4,6-7H,5,8-11H2,1-2H3.
What are the key properties of 3-(2,3-dihydroinden-1-ylideneamino)oxy-N,N-dimethylpropan-1-amine?
3-(2,3-dihydroinden-1-ylideneamino)oxy-N,N-dimethylpropan-1-amine has a molecular weight of 232.33 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroinden-1-ylideneamino)oxy-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 166558413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).