(1E)-1-pentoxyimino-2,3-dihydroinden-5-amine

C14H20N2O — CID 166925075

IUPAC(1E)-1-pentoxyimino-2,3-dihydroinden-5-amine
SMILESCCCCCO/N=C1\CCc2cc(N)ccc21
InChIInChI=1S/C14H20N2O/c1-2-3-4-9-17-16-14-8-5-11-10-12(15)6-7-13(11)14/h6-7,10H,2-5,8-9,15H2,1H3/b16-14+
InChIKeyRALMVJYYDHLXPL-JQIJEIRASA-N
MW232.33 g/mol
LogP3.13
Rot. Bonds5

About (1E)-1-pentoxyimino-2,3-dihydroinden-5-amine

(1E)-1-pentoxyimino-2,3-dihydroinden-5-amine (PubChem CID 166925075) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (1E)-1-pentoxyimino-2,3-dihydroinden-5-amine.

Molecular Properties

Compound Name(1E)-1-pentoxyimino-2,3-dihydroinden-5-amine
PubChem CID166925075
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(1E)-1-pentoxyimino-2,3-dihydroinden-5-amine
SMILESCCCCCO/N=C1\CCc2cc(N)ccc21
InChIInChI=1S/C14H20N2O/c1-2-3-4-9-17-16-14-8-5-11-10-12(15)6-7-13(11)14/h6-7,10H,2-5,8-9,15H2,1H3/b16-14+
InChIKeyRALMVJYYDHLXPL-JQIJEIRASA-N
XLogP3.13
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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 (1E)-1-pentoxyimino-2,3-dihydroinden-5-amine?
The IUPAC name of (1E)-1-pentoxyimino-2,3-dihydroinden-5-amine (CID 166925075) is (1E)-1-pentoxyimino-2,3-dihydroinden-5-amine.
What is the SMILES notation for (1E)-1-pentoxyimino-2,3-dihydroinden-5-amine?
The canonical SMILES for (1E)-1-pentoxyimino-2,3-dihydroinden-5-amine is CCCCCO/N=C1\CCc2cc(N)ccc21.
What is the InChIKey of (1E)-1-pentoxyimino-2,3-dihydroinden-5-amine?
The InChIKey is RALMVJYYDHLXPL-JQIJEIRASA-N. The full InChI is InChI=1S/C14H20N2O/c1-2-3-4-9-17-16-14-8-5-11-10-12(15)6-7-13(11)14/h6-7,10H,2-5,8-9,15H2,1H3/b16-14+.
What are the key properties of (1E)-1-pentoxyimino-2,3-dihydroinden-5-amine?
(1E)-1-pentoxyimino-2,3-dihydroinden-5-amine has a molecular weight of 232.33 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-pentoxyimino-2,3-dihydroinden-5-amine is sourced from PubChem (CID 166925075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).