2-N,4-N-bis[2,6-di(propan-2-yl)phenyl]pentane-2,4-diimine

C29H42N2 — CID 10164119

IUPAC2-N,4-N-bis[2,6-di(propan-2-yl)phenyl]pentane-2,4-diimine
SMILESC/C(C/C(C)=N/c1c(C(C)C)cccc1C(C)C)=N\c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C29H42N2/c1-18(2)24-13-11-14-25(19(3)4)28(24)30-22(9)17-23(10)31-29-26(20(5)6)15-12-16-27(29)21(7)8/h11-16,18-21H,17H2,1-10H3/b30-22+,31-23+
InChIKeyWHUSYBBGYUKBKI-WECXDZCISA-N
MW418.67 g/mol
LogP9.46
Rot. Bonds8

About 2-N,4-N-bis[2,6-di(propan-2-yl)phenyl]pentane-2,4-diimine

2-N,4-N-bis[2,6-di(propan-2-yl)phenyl]pentane-2,4-diimine (PubChem CID 10164119) has the molecular formula C29H42N2 and a molecular weight of 418.67 g/mol. Its IUPAC name is 2-N,4-N-bis[2,6-di(propan-2-yl)phenyl]pentane-2,4-diimine.

Molecular Properties

Compound Name2-N,4-N-bis[2,6-di(propan-2-yl)phenyl]pentane-2,4-diimine
PubChem CID10164119
Molecular FormulaC29H42N2
Molecular Weight418.67 g/mol
Exact Mass418.33
IUPAC Name2-N,4-N-bis[2,6-di(propan-2-yl)phenyl]pentane-2,4-diimine
SMILESC/C(C/C(C)=N/c1c(C(C)C)cccc1C(C)C)=N\c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C29H42N2/c1-18(2)24-13-11-14-25(19(3)4)28(24)30-22(9)17-23(10)31-29-26(20(5)6)15-12-16-27(29)21(7)8/h11-16,18-21H,17H2,1-10H3/b30-22+,31-23+
InChIKeyWHUSYBBGYUKBKI-WECXDZCISA-N
XLogP9.46
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.67
LogP ≤ 59.46
H-Bond Donors ≤ 50
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 2-N,4-N-bis[2,6-di(propan-2-yl)phenyl]pentane-2,4-diimine?
The IUPAC name of 2-N,4-N-bis[2,6-di(propan-2-yl)phenyl]pentane-2,4-diimine (CID 10164119) is 2-N,4-N-bis[2,6-di(propan-2-yl)phenyl]pentane-2,4-diimine.
What is the SMILES notation for 2-N,4-N-bis[2,6-di(propan-2-yl)phenyl]pentane-2,4-diimine?
The canonical SMILES for 2-N,4-N-bis[2,6-di(propan-2-yl)phenyl]pentane-2,4-diimine is C/C(C/C(C)=N/c1c(C(C)C)cccc1C(C)C)=N\c1c(C(C)C)cccc1C(C)C.
What is the InChIKey of 2-N,4-N-bis[2,6-di(propan-2-yl)phenyl]pentane-2,4-diimine?
The InChIKey is WHUSYBBGYUKBKI-WECXDZCISA-N. The full InChI is InChI=1S/C29H42N2/c1-18(2)24-13-11-14-25(19(3)4)28(24)30-22(9)17-23(10)31-29-26(20(5)6)15-12-16-27(29)21(7)8/h11-16,18-21H,17H2,1-10H3/b30-22+,31-23+.
What are the key properties of 2-N,4-N-bis[2,6-di(propan-2-yl)phenyl]pentane-2,4-diimine?
2-N,4-N-bis[2,6-di(propan-2-yl)phenyl]pentane-2,4-diimine has a molecular weight of 418.67 g/mol, XLogP of 9.46, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis[2,6-di(propan-2-yl)phenyl]pentane-2,4-diimine is sourced from PubChem (CID 10164119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).