10-[4-[[4-[10-(dimethylamino)decoxy]phenyl]diazenyl]phenoxy]-N,N-dimethyldecan-1-amine

C36H60N4O2 — CID 101082704

IUPAC10-[4-[[4-[10-(dimethylamino)decoxy]phenyl]diazenyl]phenoxy]-N,N-dimethyldecan-1-amine
SMILESCN(C)CCCCCCCCCCOc1ccc(/N=N/c2ccc(OCCCCCCCCCCN(C)C)cc2)cc1
InChIInChI=1S/C36H60N4O2/c1-39(2)29-17-13-9-5-7-11-15-19-31-41-35-25-21-33(22-26-35)37-38-34-23-27-36(28-24-34)42-32-20-16-12-8-6-10-14-18-30-40(3)4/h21-28H,5-20,29-32H2,1-4H3/b38-37+
InChIKeyAYQHMSIRDRFNEG-HEFFKOSUSA-N
MW580.90 g/mol
LogP10.22
Rot. Bonds26

About 10-[4-[[4-[10-(dimethylamino)decoxy]phenyl]diazenyl]phenoxy]-N,N-dimethyldecan-1-amine

10-[4-[[4-[10-(dimethylamino)decoxy]phenyl]diazenyl]phenoxy]-N,N-dimethyldecan-1-amine (PubChem CID 101082704) has the molecular formula C36H60N4O2 and a molecular weight of 580.90 g/mol. Its IUPAC name is 10-[4-[[4-[10-(dimethylamino)decoxy]phenyl]diazenyl]phenoxy]-N,N-dimethyldecan-1-amine.

Molecular Properties

Compound Name10-[4-[[4-[10-(dimethylamino)decoxy]phenyl]diazenyl]phenoxy]-N,N-dimethyldecan-1-amine
PubChem CID101082704
Molecular FormulaC36H60N4O2
Molecular Weight580.90 g/mol
Exact Mass580.47
IUPAC Name10-[4-[[4-[10-(dimethylamino)decoxy]phenyl]diazenyl]phenoxy]-N,N-dimethyldecan-1-amine
SMILESCN(C)CCCCCCCCCCOc1ccc(/N=N/c2ccc(OCCCCCCCCCCN(C)C)cc2)cc1
InChIInChI=1S/C36H60N4O2/c1-39(2)29-17-13-9-5-7-11-15-19-31-41-35-25-21-33(22-26-35)37-38-34-23-27-36(28-24-34)42-32-20-16-12-8-6-10-14-18-30-40(3)4/h21-28H,5-20,29-32H2,1-4H3/b38-37+
InChIKeyAYQHMSIRDRFNEG-HEFFKOSUSA-N
XLogP10.22
TPSA49.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds26
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.90
LogP ≤ 510.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 10-[4-[[4-[10-(dimethylamino)decoxy]phenyl]diazenyl]phenoxy]-N,N-dimethyldecan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-butoxyphenyl)-[4-[8-[4-[(4-butoxyphenyl)diazenyl]phenoxy]octoxy]phenyl]diazene
CID 101490875
bis(4-heptoxyphenyl)diazene
CID 13087198
4-[4-(dimethylamino)butoxy]aniline
CID 11458449
N,N-dimethyl-8-(4-phenylphenoxy)octan-1-amine
CID 21281384
(4-ethylphenyl)-[4-[6-[4-[(4-ethylphenyl)diazenyl]phenoxy]hexoxy]phenyl]diazene
CID 101048956
12-[4-[(4-methylphenyl)diazenyl]phenoxy]dodecane-1-thiol
CID 101369217
10-[4-[[4-(10-hydroxydecoxy)phenyl]diazenyl]phenoxy]decan-1-ol
CID 100941913
6-[4-[[4-(6-hydroxyhexoxy)phenyl]diazenyl]phenoxy]hexan-1-ol
CID 44604101
2-[2-hydroxyethyl-[5-[4-[(4-octoxyphenyl)diazenyl]phenoxy]pentyl]amino]ethanol
CID 101231376
trimethyl-[12-[4-[[4-[12-(trimethylazaniumyl)dodecoxy]phenyl]diazenyl]phenoxy]dodecyl]azanium
CID 100928336
[4-[10-(4-methoxyphenoxy)decoxy]phenyl]-phenyldiazene
CID 71420351
(4-hexadecoxyphenyl)-(4-methylphenyl)diazene
CID 102454987

Frequently Asked Questions

What is the IUPAC name of 10-[4-[[4-[10-(dimethylamino)decoxy]phenyl]diazenyl]phenoxy]-N,N-dimethyldecan-1-amine?
The IUPAC name of 10-[4-[[4-[10-(dimethylamino)decoxy]phenyl]diazenyl]phenoxy]-N,N-dimethyldecan-1-amine (CID 101082704) is 10-[4-[[4-[10-(dimethylamino)decoxy]phenyl]diazenyl]phenoxy]-N,N-dimethyldecan-1-amine.
What is the SMILES notation for 10-[4-[[4-[10-(dimethylamino)decoxy]phenyl]diazenyl]phenoxy]-N,N-dimethyldecan-1-amine?
The canonical SMILES for 10-[4-[[4-[10-(dimethylamino)decoxy]phenyl]diazenyl]phenoxy]-N,N-dimethyldecan-1-amine is CN(C)CCCCCCCCCCOc1ccc(/N=N/c2ccc(OCCCCCCCCCCN(C)C)cc2)cc1.
What is the InChIKey of 10-[4-[[4-[10-(dimethylamino)decoxy]phenyl]diazenyl]phenoxy]-N,N-dimethyldecan-1-amine?
The InChIKey is AYQHMSIRDRFNEG-HEFFKOSUSA-N. The full InChI is InChI=1S/C36H60N4O2/c1-39(2)29-17-13-9-5-7-11-15-19-31-41-35-25-21-33(22-26-35)37-38-34-23-27-36(28-24-34)42-32-20-16-12-8-6-10-14-18-30-40(3)4/h21-28H,5-20,29-32H2,1-4H3/b38-37+.
What are the key properties of 10-[4-[[4-[10-(dimethylamino)decoxy]phenyl]diazenyl]phenoxy]-N,N-dimethyldecan-1-amine?
10-[4-[[4-[10-(dimethylamino)decoxy]phenyl]diazenyl]phenoxy]-N,N-dimethyldecan-1-amine has a molecular weight of 580.90 g/mol, XLogP of 10.22, 26 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[[4-[10-(dimethylamino)decoxy]phenyl]diazenyl]phenoxy]-N,N-dimethyldecan-1-amine is sourced from PubChem (CID 101082704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).