N,N-diethyl-10-[4-[(4-nitrophenyl)diazenyl]phenoxy]decan-1-amine

C26H38N4O3 — CID 101457870

IUPACN,N-diethyl-10-[4-[(4-nitrophenyl)diazenyl]phenoxy]decan-1-amine
SMILESCCN(CC)CCCCCCCCCCOc1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C26H38N4O3/c1-3-29(4-2)21-11-9-7-5-6-8-10-12-22-33-26-19-15-24(16-20-26)28-27-23-13-17-25(18-14-23)30(31)32/h13-20H,3-12,21-22H2,1-2H3/b28-27+
InChIKeyWOEUDFLQGBARKW-BYYHNAKLSA-N
MW454.62 g/mol
LogP7.85
Rot. Bonds17

About N,N-diethyl-10-[4-[(4-nitrophenyl)diazenyl]phenoxy]decan-1-amine

N,N-diethyl-10-[4-[(4-nitrophenyl)diazenyl]phenoxy]decan-1-amine (PubChem CID 101457870) has the molecular formula C26H38N4O3 and a molecular weight of 454.62 g/mol. Its IUPAC name is N,N-diethyl-10-[4-[(4-nitrophenyl)diazenyl]phenoxy]decan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-10-[4-[(4-nitrophenyl)diazenyl]phenoxy]decan-1-amine
PubChem CID101457870
Molecular FormulaC26H38N4O3
Molecular Weight454.62 g/mol
Exact Mass454.29
IUPAC NameN,N-diethyl-10-[4-[(4-nitrophenyl)diazenyl]phenoxy]decan-1-amine
SMILESCCN(CC)CCCCCCCCCCOc1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C26H38N4O3/c1-3-29(4-2)21-11-9-7-5-6-8-10-12-22-33-26-19-15-24(16-20-26)28-27-23-13-17-25(18-14-23)30(31)32/h13-20H,3-12,21-22H2,1-2H3/b28-27+
InChIKeyWOEUDFLQGBARKW-BYYHNAKLSA-N
XLogP7.85
TPSA80.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.62
LogP ≤ 57.85
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'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-6-[4-[(4-nitrophenyl)diazenyl]phenoxy]hexan-1-amine
CID 101077613
N,N-diethyl-3-(4-nitrophenoxy)propan-1-amine;hydrochloride
CID 19863387
(4-nitrophenyl)-[4-[8-[4-[(4-nitrophenyl)diazenyl]phenoxy]octoxy]phenyl]diazene
CID 102425996
N,N-diethyl-2-[4-[[(4-nitrophenyl)diazenyl]methyl]phenoxy]ethanamine
CID 112758541
1-nitro-4-octadecoxybenzene
CID 4258205
[4-[(4-nitrophenyl)diazenyl]phenyl] 4-hexoxybenzoate
CID 101394284
(4-nitrophenyl)-[4-(3-trimethoxysilylpropoxy)phenyl]diazene
CID 86173257
[4-(3-methylbutoxy)phenyl]-(4-nitrophenyl)diazene
CID 177395808
dihexyl (2S,3R)-2,3-bis[6-[4-[(4-nitrophenyl)diazenyl]phenoxy]hexoxy]butanedioate
CID 102383801
10-[4-[[4-[10-(dimethylamino)decoxy]phenyl]diazenyl]phenoxy]-N,N-dimethyldecan-1-amine
CID 101082704
1-(4-bromobutoxy)-4-nitrobenzene
CID 2063669
2-[2-hydroxyethyl-[5-[4-[(4-octoxyphenyl)diazenyl]phenoxy]pentyl]amino]ethanol
CID 101231376

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-10-[4-[(4-nitrophenyl)diazenyl]phenoxy]decan-1-amine?
The IUPAC name of N,N-diethyl-10-[4-[(4-nitrophenyl)diazenyl]phenoxy]decan-1-amine (CID 101457870) is N,N-diethyl-10-[4-[(4-nitrophenyl)diazenyl]phenoxy]decan-1-amine.
What is the SMILES notation for N,N-diethyl-10-[4-[(4-nitrophenyl)diazenyl]phenoxy]decan-1-amine?
The canonical SMILES for N,N-diethyl-10-[4-[(4-nitrophenyl)diazenyl]phenoxy]decan-1-amine is CCN(CC)CCCCCCCCCCOc1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of N,N-diethyl-10-[4-[(4-nitrophenyl)diazenyl]phenoxy]decan-1-amine?
The InChIKey is WOEUDFLQGBARKW-BYYHNAKLSA-N. The full InChI is InChI=1S/C26H38N4O3/c1-3-29(4-2)21-11-9-7-5-6-8-10-12-22-33-26-19-15-24(16-20-26)28-27-23-13-17-25(18-14-23)30(31)32/h13-20H,3-12,21-22H2,1-2H3/b28-27+.
What are the key properties of N,N-diethyl-10-[4-[(4-nitrophenyl)diazenyl]phenoxy]decan-1-amine?
N,N-diethyl-10-[4-[(4-nitrophenyl)diazenyl]phenoxy]decan-1-amine has a molecular weight of 454.62 g/mol, XLogP of 7.85, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-10-[4-[(4-nitrophenyl)diazenyl]phenoxy]decan-1-amine is sourced from PubChem (CID 101457870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).