1-N-(2-ethoxypropyl)-2,3-dihydro-1H-indene-1,5-diamine

C14H22N2O — CID 113477076

IUPAC1-N-(2-ethoxypropyl)-2,3-dihydro-1H-indene-1,5-diamine
SMILESCCOC(C)CNC1CCc2cc(N)ccc21
InChIInChI=1S/C14H22N2O/c1-3-17-10(2)9-16-14-7-4-11-8-12(15)5-6-13(11)14/h5-6,8,10,14,16H,3-4,7,9,15H2,1-2H3
InChIKeyQZSSAUDXGPDAIV-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.27
Rot. Bonds5

About 1-N-(2-ethoxypropyl)-2,3-dihydro-1H-indene-1,5-diamine

1-N-(2-ethoxypropyl)-2,3-dihydro-1H-indene-1,5-diamine (PubChem CID 113477076) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-N-(2-ethoxypropyl)-2,3-dihydro-1H-indene-1,5-diamine.

Molecular Properties

Compound Name1-N-(2-ethoxypropyl)-2,3-dihydro-1H-indene-1,5-diamine
PubChem CID113477076
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-N-(2-ethoxypropyl)-2,3-dihydro-1H-indene-1,5-diamine
SMILESCCOC(C)CNC1CCc2cc(N)ccc21
InChIInChI=1S/C14H22N2O/c1-3-17-10(2)9-16-14-7-4-11-8-12(15)5-6-13(11)14/h5-6,8,10,14,16H,3-4,7,9,15H2,1-2H3
InChIKeyQZSSAUDXGPDAIV-UHFFFAOYSA-N
XLogP2.27
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N-(2-ethoxypropyl)-2,3-dihydro-1H-indene-1,5-diamine?
The IUPAC name of 1-N-(2-ethoxypropyl)-2,3-dihydro-1H-indene-1,5-diamine (CID 113477076) is 1-N-(2-ethoxypropyl)-2,3-dihydro-1H-indene-1,5-diamine.
What is the SMILES notation for 1-N-(2-ethoxypropyl)-2,3-dihydro-1H-indene-1,5-diamine?
The canonical SMILES for 1-N-(2-ethoxypropyl)-2,3-dihydro-1H-indene-1,5-diamine is CCOC(C)CNC1CCc2cc(N)ccc21.
What is the InChIKey of 1-N-(2-ethoxypropyl)-2,3-dihydro-1H-indene-1,5-diamine?
The InChIKey is QZSSAUDXGPDAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-17-10(2)9-16-14-7-4-11-8-12(15)5-6-13(11)14/h5-6,8,10,14,16H,3-4,7,9,15H2,1-2H3.
What are the key properties of 1-N-(2-ethoxypropyl)-2,3-dihydro-1H-indene-1,5-diamine?
1-N-(2-ethoxypropyl)-2,3-dihydro-1H-indene-1,5-diamine has a molecular weight of 234.34 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-ethoxypropyl)-2,3-dihydro-1H-indene-1,5-diamine is sourced from PubChem (CID 113477076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).