(1E)-N-[2-[2-[2-[[(1E)-5-(diethylamino)-1,5-bis(4-methoxyphenyl)penta-1,3-dienyl]amino]ethoxy]ethoxy]ethyl]-N',N'-diethyl-1,5-bis(4-methoxyphenyl)penta-1,3-diene-1,5-diamine

C52H68N4O6+2 — CID 102371704

IUPAC(1E)-N-[2-[2-[2-[[(1E)-5-(diethylamino)-1,5-bis(4-methoxyphenyl)penta-1,3-dienyl]amino]ethoxy]ethoxy]ethyl]-N',N'-diethyl-1,5-bis(4-methoxyphenyl)penta-1,3-diene-1,5-diamine
SMILESCCN(CC)C(/C=[C+]/C=C(/NCCOCCOCCN/C(=C/[C+]=C/C(c1ccc(OC)cc1)N(CC)CC)c1ccc(OC)cc1)c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C52H68N4O6/c1-9-55(10-2)51(43-23-31-47(59-7)32-24-43)17-13-15-49(41-19-27-45(57-5)28-20-41)53-35-37-61-39-40-62-38-36-54-50(42-21-29-46(58-6)30-22-42)16-14-18-52(56(11-3)12-4)44-25-33-48(60-8)34-26-44/h15-34,51-54H,9-12,35-40H2,1-8H3/q+2/b49-15+,50-16+
InChIKeyCXJYOSPEJZBTSU-ZEFONKCVSA-N
MW845.14 g/mol
LogP9.20
Rot. Bonds29

About (1E)-N-[2-[2-[2-[[(1E)-5-(diethylamino)-1,5-bis(4-methoxyphenyl)penta-1,3-dienyl]amino]ethoxy]ethoxy]ethyl]-N',N'-diethyl-1,5-bis(4-methoxyphenyl)penta-1,3-diene-1,5-diamine

(1E)-N-[2-[2-[2-[[(1E)-5-(diethylamino)-1,5-bis(4-methoxyphenyl)penta-1,3-dienyl]amino]ethoxy]ethoxy]ethyl]-N',N'-diethyl-1,5-bis(4-methoxyphenyl)penta-1,3-diene-1,5-diamine (PubChem CID 102371704) has the molecular formula C52H68N4O6+2 and a molecular weight of 845.14 g/mol. Its IUPAC name is (1E)-N-[2-[2-[2-[[(1E)-5-(diethylamino)-1,5-bis(4-methoxyphenyl)penta-1,3-dienyl]amino]ethoxy]ethoxy]ethyl]-N',N'-diethyl-1,5-bis(4-methoxyphenyl)penta-1,3-diene-1,5-diamine.

Molecular Properties

Compound Name(1E)-N-[2-[2-[2-[[(1E)-5-(diethylamino)-1,5-bis(4-methoxyphenyl)penta-1,3-dienyl]amino]ethoxy]ethoxy]ethyl]-N',N'-diethyl-1,5-bis(4-methoxyphenyl)penta-1,3-diene-1,5-diamine
PubChem CID102371704
Molecular FormulaC52H68N4O6+2
Molecular Weight845.14 g/mol
Exact Mass844.51
IUPAC Name(1E)-N-[2-[2-[2-[[(1E)-5-(diethylamino)-1,5-bis(4-methoxyphenyl)penta-1,3-dienyl]amino]ethoxy]ethoxy]ethyl]-N',N'-diethyl-1,5-bis(4-methoxyphenyl)penta-1,3-diene-1,5-diamine
SMILESCCN(CC)C(/C=[C+]/C=C(/NCCOCCOCCN/C(=C/[C+]=C/C(c1ccc(OC)cc1)N(CC)CC)c1ccc(OC)cc1)c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C52H68N4O6/c1-9-55(10-2)51(43-23-31-47(59-7)32-24-43)17-13-15-49(41-19-27-45(57-5)28-20-41)53-35-37-61-39-40-62-38-36-54-50(42-21-29-46(58-6)30-22-42)16-14-18-52(56(11-3)12-4)44-25-33-48(60-8)34-26-44/h15-34,51-54H,9-12,35-40H2,1-8H3/q+2/b49-15+,50-16+
InChIKeyCXJYOSPEJZBTSU-ZEFONKCVSA-N
XLogP9.20
TPSA85.92 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds29
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500845.14
LogP ≤ 59.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze (1E)-N-[2-[2-[2-[[(1E)-5-(diethylamino)-1,5-bis(4-methoxyphenyl)penta-1,3-dienyl]amino]ethoxy]ethoxy]ethyl]-N',N'-diethyl-1,5-bis(4-methoxyphenyl)penta-1,3-diene-1,5-diamine with MolForge

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Related Compounds

(2E,4E)-5-ethoxy-N,N-diethyl-1,5-bis(4-methoxyphenyl)penta-2,4-dien-1-amine
CID 101029005
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-(4-methoxyphenyl)ethanamine
CID 104562502
(1S)-N-[2-(2-methoxyethoxy)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 81370691
N-[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide
CID 112503668
1-[(2R)-butan-2-yl]-4-[2-[2-(4-methoxyphenoxy)ethoxy]ethoxy]benzene
CID 2282958
N-[2-[2-(4-methoxyphenoxy)ethoxy]ethyl]propan-2-amine
CID 2280828
tert-butyl N-[2-[4-[1-[(2-aminoacetyl)-methylamino]-2-oxoethyl]phenoxy]ethyl]carbamate
CID 145311121
tert-butyl N-[2-(4-methoxyphenyl)-3-oxopropyl]carbamate
CID 84730391
2-[2-(4-methoxybenzoyl)oxyethoxy]ethyl 4-formylbenzoate
CID 130305051
N'-[2-[2-(4-methoxyphenoxy)ethoxy]ethyl]ethane-1,2-diamine
CID 2280947
2-[ethyl(2-hydroxyethyl)amino]-1,2-bis(4-methoxyphenyl)ethanone;hydrochloride
CID 54601247
N-[2-(diethylamino)ethyl]-3,3-bis(4-methoxyphenyl)prop-2-enamide
CID 139646624

Frequently Asked Questions

What is the IUPAC name of (1E)-N-[2-[2-[2-[[(1E)-5-(diethylamino)-1,5-bis(4-methoxyphenyl)penta-1,3-dienyl]amino]ethoxy]ethoxy]ethyl]-N',N'-diethyl-1,5-bis(4-methoxyphenyl)penta-1,3-diene-1,5-diamine?
The IUPAC name of (1E)-N-[2-[2-[2-[[(1E)-5-(diethylamino)-1,5-bis(4-methoxyphenyl)penta-1,3-dienyl]amino]ethoxy]ethoxy]ethyl]-N',N'-diethyl-1,5-bis(4-methoxyphenyl)penta-1,3-diene-1,5-diamine (CID 102371704) is (1E)-N-[2-[2-[2-[[(1E)-5-(diethylamino)-1,5-bis(4-methoxyphenyl)penta-1,3-dienyl]amino]ethoxy]ethoxy]ethyl]-N',N'-diethyl-1,5-bis(4-methoxyphenyl)penta-1,3-diene-1,5-diamine.
What is the SMILES notation for (1E)-N-[2-[2-[2-[[(1E)-5-(diethylamino)-1,5-bis(4-methoxyphenyl)penta-1,3-dienyl]amino]ethoxy]ethoxy]ethyl]-N',N'-diethyl-1,5-bis(4-methoxyphenyl)penta-1,3-diene-1,5-diamine?
The canonical SMILES for (1E)-N-[2-[2-[2-[[(1E)-5-(diethylamino)-1,5-bis(4-methoxyphenyl)penta-1,3-dienyl]amino]ethoxy]ethoxy]ethyl]-N',N'-diethyl-1,5-bis(4-methoxyphenyl)penta-1,3-diene-1,5-diamine is CCN(CC)C(/C=[C+]/C=C(/NCCOCCOCCN/C(=C/[C+]=C/C(c1ccc(OC)cc1)N(CC)CC)c1ccc(OC)cc1)c1ccc(OC)cc1)c1ccc(OC)cc1.
What is the InChIKey of (1E)-N-[2-[2-[2-[[(1E)-5-(diethylamino)-1,5-bis(4-methoxyphenyl)penta-1,3-dienyl]amino]ethoxy]ethoxy]ethyl]-N',N'-diethyl-1,5-bis(4-methoxyphenyl)penta-1,3-diene-1,5-diamine?
The InChIKey is CXJYOSPEJZBTSU-ZEFONKCVSA-N. The full InChI is InChI=1S/C52H68N4O6/c1-9-55(10-2)51(43-23-31-47(59-7)32-24-43)17-13-15-49(41-19-27-45(57-5)28-20-41)53-35-37-61-39-40-62-38-36-54-50(42-21-29-46(58-6)30-22-42)16-14-18-52(56(11-3)12-4)44-25-33-48(60-8)34-26-44/h15-34,51-54H,9-12,35-40H2,1-8H3/q+2/b49-15+,50-16+.
What are the key properties of (1E)-N-[2-[2-[2-[[(1E)-5-(diethylamino)-1,5-bis(4-methoxyphenyl)penta-1,3-dienyl]amino]ethoxy]ethoxy]ethyl]-N',N'-diethyl-1,5-bis(4-methoxyphenyl)penta-1,3-diene-1,5-diamine?
(1E)-N-[2-[2-[2-[[(1E)-5-(diethylamino)-1,5-bis(4-methoxyphenyl)penta-1,3-dienyl]amino]ethoxy]ethoxy]ethyl]-N',N'-diethyl-1,5-bis(4-methoxyphenyl)penta-1,3-diene-1,5-diamine has a molecular weight of 845.14 g/mol, XLogP of 9.20, 29 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-N-[2-[2-[2-[[(1E)-5-(diethylamino)-1,5-bis(4-methoxyphenyl)penta-1,3-dienyl]amino]ethoxy]ethoxy]ethyl]-N',N'-diethyl-1,5-bis(4-methoxyphenyl)penta-1,3-diene-1,5-diamine is sourced from PubChem (CID 102371704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).