4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-8-[1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]ethenyl]naphthalene-1-carbaldehyde

C25H38N4O5 — CID 154003759

IUPAC4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-8-[1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]ethenyl]naphthalene-1-carbaldehyde
SMILESC=C(NCCOCCOCCN)c1cccc2c(NCCOCCOCCN)ccc(C=O)c12
InChIInChI=1S/C25H38N4O5/c1-20(28-9-13-33-17-15-31-11-7-26)22-3-2-4-23-24(6-5-21(19-30)25(22)23)29-10-14-34-18-16-32-12-8-27/h2-6,19,28-29H,1,7-18,26-27H2
InChIKeyNBMJSFQYXGZCNM-UHFFFAOYSA-N
MW474.60 g/mol
LogP1.61
Rot. Bonds20

About 4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-8-[1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]ethenyl]naphthalene-1-carbaldehyde

4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-8-[1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]ethenyl]naphthalene-1-carbaldehyde (PubChem CID 154003759) has the molecular formula C25H38N4O5 and a molecular weight of 474.60 g/mol. Its IUPAC name is 4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-8-[1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]ethenyl]naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-8-[1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]ethenyl]naphthalene-1-carbaldehyde
PubChem CID154003759
Molecular FormulaC25H38N4O5
Molecular Weight474.60 g/mol
Exact Mass474.28
IUPAC Name4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-8-[1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]ethenyl]naphthalene-1-carbaldehyde
SMILESC=C(NCCOCCOCCN)c1cccc2c(NCCOCCOCCN)ccc(C=O)c12
InChIInChI=1S/C25H38N4O5/c1-20(28-9-13-33-17-15-31-11-7-26)22-3-2-4-23-24(6-5-21(19-30)25(22)23)29-10-14-34-18-16-32-12-8-27/h2-6,19,28-29H,1,7-18,26-27H2
InChIKeyNBMJSFQYXGZCNM-UHFFFAOYSA-N
XLogP1.61
TPSA130.09 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds20
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.60
LogP ≤ 51.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

6-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-2-[2-[2-[2-[6-[2-[2-[2-[[2-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1,3-dioxobenzo[de]isoquinolin-6-yl]amino]ethoxy]ethoxy]ethylamino]-1,3-dioxobenzo[de]isoquinolin-2-yl]ethoxy]ethoxy]ethyl]benzo[de]isoquinoline-1,3-dione
CID 86275855
6-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-2-[2-[2-[2-(6-bromo-1,3-dioxobenzo[de]isoquinolin-2-yl)ethoxy]ethoxy]ethyl]benzo[de]isoquinoline-1,3-dione
CID 165150092
N-[2-(2-aminoethoxy)ethyl]-2,3-dihydroxybenzamide
CID 114345378
2-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-6-formyl-N-methyl-N-[5-(methylamino)-1,5-dioxopentan-2-yl]benzamide
CID 170749250
tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[2-(3-methyl-2-nitroanilino)ethoxy]ethoxy]ethyl]carbamate
CID 142616030
N-[2-(2-aminoethoxy)ethyl]-3-hydroxybenzamide
CID 63754284
N-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]prop-2-enamide
CID 172914434
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-bromo-2-nitroaniline
CID 135259095
2-[2-[2-[2-[(2-formylbenzoyl)amino]ethoxy]ethoxy]ethylamino]acetic acid
CID 59649148
6-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-2-[2-[2-[2-[6-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-1,3-dioxobenzo[de]isoquinolin-4-yl]ethoxy]ethoxy]ethyl]benzo[de]isoquinoline-1,3-dione
CID 167424763
benzyl N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 162341693
1-[2-(2-aminoethoxy)ethyl]-3-benzylurea
CID 107654533

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-8-[1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]ethenyl]naphthalene-1-carbaldehyde?
The IUPAC name of 4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-8-[1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]ethenyl]naphthalene-1-carbaldehyde (CID 154003759) is 4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-8-[1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]ethenyl]naphthalene-1-carbaldehyde.
What is the SMILES notation for 4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-8-[1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]ethenyl]naphthalene-1-carbaldehyde?
The canonical SMILES for 4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-8-[1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]ethenyl]naphthalene-1-carbaldehyde is C=C(NCCOCCOCCN)c1cccc2c(NCCOCCOCCN)ccc(C=O)c12.
What is the InChIKey of 4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-8-[1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]ethenyl]naphthalene-1-carbaldehyde?
The InChIKey is NBMJSFQYXGZCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N4O5/c1-20(28-9-13-33-17-15-31-11-7-26)22-3-2-4-23-24(6-5-21(19-30)25(22)23)29-10-14-34-18-16-32-12-8-27/h2-6,19,28-29H,1,7-18,26-27H2.
What are the key properties of 4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-8-[1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]ethenyl]naphthalene-1-carbaldehyde?
4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-8-[1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]ethenyl]naphthalene-1-carbaldehyde has a molecular weight of 474.60 g/mol, XLogP of 1.61, 20 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-8-[1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]ethenyl]naphthalene-1-carbaldehyde is sourced from PubChem (CID 154003759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).