N-[2-[2-[2,6-di(propan-2-yl)anilino]ethoxy]ethyl]-2,6-di(propan-2-yl)aniline

C28H44N2O — CID 86189291

IUPACN-[2-[2-[2,6-di(propan-2-yl)anilino]ethoxy]ethyl]-2,6-di(propan-2-yl)aniline
SMILESCC(C)c1cccc(C(C)C)c1NCCOCCNc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C28H44N2O/c1-19(2)23-11-9-12-24(20(3)4)27(23)29-15-17-31-18-16-30-28-25(21(5)6)13-10-14-26(28)22(7)8/h9-14,19-22,29-30H,15-18H2,1-8H3
InChIKeyRDVMGCKWMAGLQO-UHFFFAOYSA-N
MW424.67 g/mol
LogP7.72
Rot. Bonds12

About N-[2-[2-[2,6-di(propan-2-yl)anilino]ethoxy]ethyl]-2,6-di(propan-2-yl)aniline

N-[2-[2-[2,6-di(propan-2-yl)anilino]ethoxy]ethyl]-2,6-di(propan-2-yl)aniline (PubChem CID 86189291) has the molecular formula C28H44N2O and a molecular weight of 424.67 g/mol. Its IUPAC name is N-[2-[2-[2,6-di(propan-2-yl)anilino]ethoxy]ethyl]-2,6-di(propan-2-yl)aniline.

Molecular Properties

Compound NameN-[2-[2-[2,6-di(propan-2-yl)anilino]ethoxy]ethyl]-2,6-di(propan-2-yl)aniline
PubChem CID86189291
Molecular FormulaC28H44N2O
Molecular Weight424.67 g/mol
Exact Mass424.35
IUPAC NameN-[2-[2-[2,6-di(propan-2-yl)anilino]ethoxy]ethyl]-2,6-di(propan-2-yl)aniline
SMILESCC(C)c1cccc(C(C)C)c1NCCOCCNc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C28H44N2O/c1-19(2)23-11-9-12-24(20(3)4)27(23)29-15-17-31-18-16-30-28-25(21(5)6)13-10-14-26(28)22(7)8/h9-14,19-22,29-30H,15-18H2,1-8H3
InChIKeyRDVMGCKWMAGLQO-UHFFFAOYSA-N
XLogP7.72
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.67
LogP ≤ 57.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2,6-di(propan-2-yl)anilino]propanenitrile
CID 82041201
N-pent-3-enyl-2,6-di(propan-2-yl)aniline
CID 175052075
N-ethyl-2,6-di(propan-2-yl)aniline;trichlorocobalt
CID 175492359
N-[2-[3-[2-[2-[2,6-di(propan-2-yl)anilino]ethylamino]-4-methylphenoxy]propoxy]-5-methylphenyl]-N'-[2,6-di(propan-2-yl)phenyl]ethane-1,2-diamine
CID 122646862
4-N-[2,6-di(propan-2-yl)phenyl]-6-N-(2-methoxyethyl)pyrimidine-4,6-diamine
CID 112856803
N-[2-(6-bromo-2-pyridinyl)ethyl]-2,6-di(propan-2-yl)aniline
CID 175069379
CID 11850391
CID 11850391
N-butan-2-yl-3-[2,6-di(propan-2-yl)anilino]propanamide
CID 109013041
1-N-[2-[2,6-di(propan-2-yl)anilino]propyl]-2-N-[2,6-di(propan-2-yl)phenyl]-1-N-methylpropane-1,2-diamine
CID 18441404
N-cyclopropyl-3-[2,6-di(propan-2-yl)anilino]propanamide
CID 109011766
3-[2,6-di(propan-2-yl)anilino]-N-(4-methoxyphenyl)propanamide
CID 109039645
3-fluoro-2-[2-(3-methylbutoxy)ethylamino]benzoic acid
CID 62649052

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2,6-di(propan-2-yl)anilino]ethoxy]ethyl]-2,6-di(propan-2-yl)aniline?
The IUPAC name of N-[2-[2-[2,6-di(propan-2-yl)anilino]ethoxy]ethyl]-2,6-di(propan-2-yl)aniline (CID 86189291) is N-[2-[2-[2,6-di(propan-2-yl)anilino]ethoxy]ethyl]-2,6-di(propan-2-yl)aniline.
What is the SMILES notation for N-[2-[2-[2,6-di(propan-2-yl)anilino]ethoxy]ethyl]-2,6-di(propan-2-yl)aniline?
The canonical SMILES for N-[2-[2-[2,6-di(propan-2-yl)anilino]ethoxy]ethyl]-2,6-di(propan-2-yl)aniline is CC(C)c1cccc(C(C)C)c1NCCOCCNc1c(C(C)C)cccc1C(C)C.
What is the InChIKey of N-[2-[2-[2,6-di(propan-2-yl)anilino]ethoxy]ethyl]-2,6-di(propan-2-yl)aniline?
The InChIKey is RDVMGCKWMAGLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H44N2O/c1-19(2)23-11-9-12-24(20(3)4)27(23)29-15-17-31-18-16-30-28-25(21(5)6)13-10-14-26(28)22(7)8/h9-14,19-22,29-30H,15-18H2,1-8H3.
What are the key properties of N-[2-[2-[2,6-di(propan-2-yl)anilino]ethoxy]ethyl]-2,6-di(propan-2-yl)aniline?
N-[2-[2-[2,6-di(propan-2-yl)anilino]ethoxy]ethyl]-2,6-di(propan-2-yl)aniline has a molecular weight of 424.67 g/mol, XLogP of 7.72, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2,6-di(propan-2-yl)anilino]ethoxy]ethyl]-2,6-di(propan-2-yl)aniline is sourced from PubChem (CID 86189291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).