N,N'-bis[2-[2-[2-(2,4,6-trimethylphenoxy)ethoxy]ethoxy]propyl]-N,N'-bis[2-[2-[2-[2-(2,4,6-trimethylphenoxy)ethoxy]propoxy]ethoxy]ethyl]ethane-1,2-diamine

C70H112N2O14 — CID 59271055

IUPACN,N'-bis[2-[2-[2-(2,4,6-trimethylphenoxy)ethoxy]ethoxy]propyl]-N,N'-bis[2-[2-[2-[2-(2,4,6-trimethylphenoxy)ethoxy]propoxy]ethoxy]ethyl]ethane-1,2-diamine
SMILESCc1cc(C)c(OCCOCCOC(C)CN(CCOCCOCC(C)OCCOc2c(C)cc(C)cc2C)CCN(CCOCCOCC(C)OCCOc2c(C)cc(C)cc2C)CC(C)OCCOCCOc2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C70H112N2O14/c1-51-39-55(5)67(56(6)40-51)83-33-29-75-27-31-79-63(13)47-71(19-21-73-23-25-77-49-65(15)81-35-37-85-69-59(9)43-53(3)44-60(69)10)17-18-72(48-64(14)80-32-28-76-30-34-84-68-57(7)41-52(2)42-58(68)8)20-22-74-24-26-78-50-66(16)82-36-38-86-70-61(11)45-54(4)46-62(70)12/h39-46,63-66H,17-38,47-50H2,1-16H3
InChIKeyFMJUXFIPJWQRCO-UHFFFAOYSA-N
MW1205.67 g/mol
LogP11.33
Rot. Bonds49

About N,N'-bis[2-[2-[2-(2,4,6-trimethylphenoxy)ethoxy]ethoxy]propyl]-N,N'-bis[2-[2-[2-[2-(2,4,6-trimethylphenoxy)ethoxy]propoxy]ethoxy]ethyl]ethane-1,2-diamine

N,N'-bis[2-[2-[2-(2,4,6-trimethylphenoxy)ethoxy]ethoxy]propyl]-N,N'-bis[2-[2-[2-[2-(2,4,6-trimethylphenoxy)ethoxy]propoxy]ethoxy]ethyl]ethane-1,2-diamine (PubChem CID 59271055) has the molecular formula C70H112N2O14 and a molecular weight of 1205.67 g/mol. Its IUPAC name is N,N'-bis[2-[2-[2-(2,4,6-trimethylphenoxy)ethoxy]ethoxy]propyl]-N,N'-bis[2-[2-[2-[2-(2,4,6-trimethylphenoxy)ethoxy]propoxy]ethoxy]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-bis[2-[2-[2-(2,4,6-trimethylphenoxy)ethoxy]ethoxy]propyl]-N,N'-bis[2-[2-[2-[2-(2,4,6-trimethylphenoxy)ethoxy]propoxy]ethoxy]ethyl]ethane-1,2-diamine
PubChem CID59271055
Molecular FormulaC70H112N2O14
Molecular Weight1205.67 g/mol
Exact Mass1204.81
IUPAC NameN,N'-bis[2-[2-[2-(2,4,6-trimethylphenoxy)ethoxy]ethoxy]propyl]-N,N'-bis[2-[2-[2-[2-(2,4,6-trimethylphenoxy)ethoxy]propoxy]ethoxy]ethyl]ethane-1,2-diamine
SMILESCc1cc(C)c(OCCOCCOC(C)CN(CCOCCOCC(C)OCCOc2c(C)cc(C)cc2C)CCN(CCOCCOCC(C)OCCOc2c(C)cc(C)cc2C)CC(C)OCCOCCOc2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C70H112N2O14/c1-51-39-55(5)67(56(6)40-51)83-33-29-75-27-31-79-63(13)47-71(19-21-73-23-25-77-49-65(15)81-35-37-85-69-59(9)43-53(3)44-60(69)10)17-18-72(48-64(14)80-32-28-76-30-34-84-68-57(7)41-52(2)42-58(68)8)20-22-74-24-26-78-50-66(16)82-36-38-86-70-61(11)45-54(4)46-62(70)12/h39-46,63-66H,17-38,47-50H2,1-16H3
InChIKeyFMJUXFIPJWQRCO-UHFFFAOYSA-N
XLogP11.33
TPSA135.70 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds49
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001205.67
LogP ≤ 511.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze N,N'-bis[2-[2-[2-(2,4,6-trimethylphenoxy)ethoxy]ethoxy]propyl]-N,N'-bis[2-[2-[2-[2-(2,4,6-trimethylphenoxy)ethoxy]propoxy]ethoxy]ethyl]ethane-1,2-diamine 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

2-[2-(2-bromo-4,6-dimethylphenoxy)ethoxy]-N,N-dimethylethanamine
CID 2181881
N,N-diethyl-2-(2,4,6-trimethylphenoxy)ethanamine
CID 2848079
2-[2-(4-chloro-2,6-dimethylphenoxy)ethoxy]-N,N-diethylethanamine
CID 2245338
1-[2-[2-(2,4,6-trimethylphenoxy)ethoxy]ethyl]pyrrolidin-1-ium
CID 2245875
N-prop-2-enyl-N-[2-(2,4,6-trimethylphenoxy)ethyl]prop-2-en-1-amine
CID 894966
N-[2-[2-[2-(2,6-dimethylphenoxy)ethoxy]ethoxy]ethyl]-2-methoxy-N-(2-methoxyethyl)ethanamine
CID 134464806
[3,5-dimethyl-4-[2-(2-methylpropoxy)ethoxy]phenyl]methanamine
CID 106449258
2-[2-(2-methoxyethoxy)ethoxy]-1,3-dimethyl-5-propan-2-ylbenzene
CID 90397544
ethane;2-hexoxy-1,3,5-trimethylbenzene
CID 143283157
1,3,5-trimethyl-2-[2-(4-methylphenoxy)ethoxy]benzene
CID 143724561
2-[2-(2-bromo-6-chloro-4-methylphenoxy)ethoxy]-N,N-dimethylethanamine
CID 2184438
3,5-dimethyl-2-(4-methylpentoxy)benzenesulfonamide
CID 83158027

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[2-[2-[2-(2,4,6-trimethylphenoxy)ethoxy]ethoxy]propyl]-N,N'-bis[2-[2-[2-[2-(2,4,6-trimethylphenoxy)ethoxy]propoxy]ethoxy]ethyl]ethane-1,2-diamine?
The IUPAC name of N,N'-bis[2-[2-[2-(2,4,6-trimethylphenoxy)ethoxy]ethoxy]propyl]-N,N'-bis[2-[2-[2-[2-(2,4,6-trimethylphenoxy)ethoxy]propoxy]ethoxy]ethyl]ethane-1,2-diamine (CID 59271055) is N,N'-bis[2-[2-[2-(2,4,6-trimethylphenoxy)ethoxy]ethoxy]propyl]-N,N'-bis[2-[2-[2-[2-(2,4,6-trimethylphenoxy)ethoxy]propoxy]ethoxy]ethyl]ethane-1,2-diamine.
What is the SMILES notation for N,N'-bis[2-[2-[2-(2,4,6-trimethylphenoxy)ethoxy]ethoxy]propyl]-N,N'-bis[2-[2-[2-[2-(2,4,6-trimethylphenoxy)ethoxy]propoxy]ethoxy]ethyl]ethane-1,2-diamine?
The canonical SMILES for N,N'-bis[2-[2-[2-(2,4,6-trimethylphenoxy)ethoxy]ethoxy]propyl]-N,N'-bis[2-[2-[2-[2-(2,4,6-trimethylphenoxy)ethoxy]propoxy]ethoxy]ethyl]ethane-1,2-diamine is Cc1cc(C)c(OCCOCCOC(C)CN(CCOCCOCC(C)OCCOc2c(C)cc(C)cc2C)CCN(CCOCCOCC(C)OCCOc2c(C)cc(C)cc2C)CC(C)OCCOCCOc2c(C)cc(C)cc2C)c(C)c1.
What is the InChIKey of N,N'-bis[2-[2-[2-(2,4,6-trimethylphenoxy)ethoxy]ethoxy]propyl]-N,N'-bis[2-[2-[2-[2-(2,4,6-trimethylphenoxy)ethoxy]propoxy]ethoxy]ethyl]ethane-1,2-diamine?
The InChIKey is FMJUXFIPJWQRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H112N2O14/c1-51-39-55(5)67(56(6)40-51)83-33-29-75-27-31-79-63(13)47-71(19-21-73-23-25-77-49-65(15)81-35-37-85-69-59(9)43-53(3)44-60(69)10)17-18-72(48-64(14)80-32-28-76-30-34-84-68-57(7)41-52(2)42-58(68)8)20-22-74-24-26-78-50-66(16)82-36-38-86-70-61(11)45-54(4)46-62(70)12/h39-46,63-66H,17-38,47-50H2,1-16H3.
What are the key properties of N,N'-bis[2-[2-[2-(2,4,6-trimethylphenoxy)ethoxy]ethoxy]propyl]-N,N'-bis[2-[2-[2-[2-(2,4,6-trimethylphenoxy)ethoxy]propoxy]ethoxy]ethyl]ethane-1,2-diamine?
N,N'-bis[2-[2-[2-(2,4,6-trimethylphenoxy)ethoxy]ethoxy]propyl]-N,N'-bis[2-[2-[2-[2-(2,4,6-trimethylphenoxy)ethoxy]propoxy]ethoxy]ethyl]ethane-1,2-diamine has a molecular weight of 1205.67 g/mol, XLogP of 11.33, 49 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[2-[2-[2-(2,4,6-trimethylphenoxy)ethoxy]ethoxy]propyl]-N,N'-bis[2-[2-[2-[2-(2,4,6-trimethylphenoxy)ethoxy]propoxy]ethoxy]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 59271055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).