N-[3-[2,6-di(propan-2-yl)phenyl]imino-2-methylbutan-2-yl]-2,6-di(propan-2-yl)aniline

C29H44N2 — CID 20771836

IUPACN-[3-[2,6-di(propan-2-yl)phenyl]imino-2-methylbutan-2-yl]-2,6-di(propan-2-yl)aniline
SMILESC/C(=N\c1c(C(C)C)cccc1C(C)C)C(C)(C)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C29H44N2/c1-18(2)23-14-12-15-24(19(3)4)27(23)30-22(9)29(10,11)31-28-25(20(5)6)16-13-17-26(28)21(7)8/h12-21,31H,1-11H3/b30-22+
InChIKeyWSEOJEXEYWDDAQ-JBASAIQMSA-N
MW420.69 g/mol
LogP9.16
Rot. Bonds8

About N-[3-[2,6-di(propan-2-yl)phenyl]imino-2-methylbutan-2-yl]-2,6-di(propan-2-yl)aniline

N-[3-[2,6-di(propan-2-yl)phenyl]imino-2-methylbutan-2-yl]-2,6-di(propan-2-yl)aniline (PubChem CID 20771836) has the molecular formula C29H44N2 and a molecular weight of 420.69 g/mol. Its IUPAC name is N-[3-[2,6-di(propan-2-yl)phenyl]imino-2-methylbutan-2-yl]-2,6-di(propan-2-yl)aniline.

Molecular Properties

Compound NameN-[3-[2,6-di(propan-2-yl)phenyl]imino-2-methylbutan-2-yl]-2,6-di(propan-2-yl)aniline
PubChem CID20771836
Molecular FormulaC29H44N2
Molecular Weight420.69 g/mol
Exact Mass420.35
IUPAC NameN-[3-[2,6-di(propan-2-yl)phenyl]imino-2-methylbutan-2-yl]-2,6-di(propan-2-yl)aniline
SMILESC/C(=N\c1c(C(C)C)cccc1C(C)C)C(C)(C)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C29H44N2/c1-18(2)23-14-12-15-24(19(3)4)27(23)30-22(9)29(10,11)31-28-25(20(5)6)16-13-17-26(28)21(7)8/h12-21,31H,1-11H3/b30-22+
InChIKeyWSEOJEXEYWDDAQ-JBASAIQMSA-N
XLogP9.16
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.69
LogP ≤ 59.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2,6-di(propan-2-yl)phenyl]imino-2-methylbutan-2-yl]-2,6-di(propan-2-yl)aniline?
The IUPAC name of N-[3-[2,6-di(propan-2-yl)phenyl]imino-2-methylbutan-2-yl]-2,6-di(propan-2-yl)aniline (CID 20771836) is N-[3-[2,6-di(propan-2-yl)phenyl]imino-2-methylbutan-2-yl]-2,6-di(propan-2-yl)aniline.
What is the SMILES notation for N-[3-[2,6-di(propan-2-yl)phenyl]imino-2-methylbutan-2-yl]-2,6-di(propan-2-yl)aniline?
The canonical SMILES for N-[3-[2,6-di(propan-2-yl)phenyl]imino-2-methylbutan-2-yl]-2,6-di(propan-2-yl)aniline is C/C(=N\c1c(C(C)C)cccc1C(C)C)C(C)(C)Nc1c(C(C)C)cccc1C(C)C.
What is the InChIKey of N-[3-[2,6-di(propan-2-yl)phenyl]imino-2-methylbutan-2-yl]-2,6-di(propan-2-yl)aniline?
The InChIKey is WSEOJEXEYWDDAQ-JBASAIQMSA-N. The full InChI is InChI=1S/C29H44N2/c1-18(2)23-14-12-15-24(19(3)4)27(23)30-22(9)29(10,11)31-28-25(20(5)6)16-13-17-26(28)21(7)8/h12-21,31H,1-11H3/b30-22+.
What are the key properties of N-[3-[2,6-di(propan-2-yl)phenyl]imino-2-methylbutan-2-yl]-2,6-di(propan-2-yl)aniline?
N-[3-[2,6-di(propan-2-yl)phenyl]imino-2-methylbutan-2-yl]-2,6-di(propan-2-yl)aniline has a molecular weight of 420.69 g/mol, XLogP of 9.16, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2,6-di(propan-2-yl)phenyl]imino-2-methylbutan-2-yl]-2,6-di(propan-2-yl)aniline is sourced from PubChem (CID 20771836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).