3-N,5-N-bis[2,6-di(propan-2-yl)phenyl]-4-methylheptane-3,5-diimine

C32H48N2 — CID 126613596

IUPAC3-N,5-N-bis[2,6-di(propan-2-yl)phenyl]-4-methylheptane-3,5-diimine
SMILESCC/C(=N\c1c(C(C)C)cccc1C(C)C)C(C)/C(CC)=N/c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C32H48N2/c1-12-29(33-31-25(20(3)4)16-14-17-26(31)21(5)6)24(11)30(13-2)34-32-27(22(7)8)18-15-19-28(32)23(9)10/h14-24H,12-13H2,1-11H3/b33-29+,34-30+
InChIKeyWQGMMHNFJSMRBR-BNRZXNFUSA-N
MW460.75 g/mol
LogP10.48
Rot. Bonds10

About 3-N,5-N-bis[2,6-di(propan-2-yl)phenyl]-4-methylheptane-3,5-diimine

3-N,5-N-bis[2,6-di(propan-2-yl)phenyl]-4-methylheptane-3,5-diimine (PubChem CID 126613596) has the molecular formula C32H48N2 and a molecular weight of 460.75 g/mol. Its IUPAC name is 3-N,5-N-bis[2,6-di(propan-2-yl)phenyl]-4-methylheptane-3,5-diimine.

Molecular Properties

Compound Name3-N,5-N-bis[2,6-di(propan-2-yl)phenyl]-4-methylheptane-3,5-diimine
PubChem CID126613596
Molecular FormulaC32H48N2
Molecular Weight460.75 g/mol
Exact Mass460.38
IUPAC Name3-N,5-N-bis[2,6-di(propan-2-yl)phenyl]-4-methylheptane-3,5-diimine
SMILESCC/C(=N\c1c(C(C)C)cccc1C(C)C)C(C)/C(CC)=N/c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C32H48N2/c1-12-29(33-31-25(20(3)4)16-14-17-26(31)21(5)6)24(11)30(13-2)34-32-27(22(7)8)18-15-19-28(32)23(9)10/h14-24H,12-13H2,1-11H3/b33-29+,34-30+
InChIKeyWQGMMHNFJSMRBR-BNRZXNFUSA-N
XLogP10.48
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.75
LogP ≤ 510.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[2,6-di(propan-2-yl)phenyl]imino-4-ethylheptan-3-one
CID 139343063
ethyl N-[2,6-di(propan-2-yl)phenyl]ethanimidate
CID 139084602
N-[2,6-di(propan-2-yl)phenyl]ethanimidoyl bromide
CID 132938731
2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine;carbanide;nickel monohydride
CID 59870067
2-N-(2,6-diethylphenyl)-3-N-[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine;nickel
CID 87861081
bis[[2,6-di(propan-2-yl)phenyl]imino]-oxorhenium;carbanide
CID 177456396
bis(2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine);(Z)-but-2-ene-2,3-diolate;nickel
CID 139170937
[2,6-di(propan-2-yl)phenyl]iminotantalum
CID 10864957
N-[2,6-di(propan-2-yl)phenyl]-3,3,6-trimethylhept-5-en-2-imine
CID 59318269
N-[2,6-di(propan-2-yl)phenyl]benzenecarboximidoyl chloride
CID 22596623
3-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]pentane-2,4-dione
CID 102209493
carbanide;methyl 2-[2,6-di(propan-2-yl)phenyl]iminopropanoate;nickel;propane
CID 159826802

Frequently Asked Questions

What is the IUPAC name of 3-N,5-N-bis[2,6-di(propan-2-yl)phenyl]-4-methylheptane-3,5-diimine?
The IUPAC name of 3-N,5-N-bis[2,6-di(propan-2-yl)phenyl]-4-methylheptane-3,5-diimine (CID 126613596) is 3-N,5-N-bis[2,6-di(propan-2-yl)phenyl]-4-methylheptane-3,5-diimine.
What is the SMILES notation for 3-N,5-N-bis[2,6-di(propan-2-yl)phenyl]-4-methylheptane-3,5-diimine?
The canonical SMILES for 3-N,5-N-bis[2,6-di(propan-2-yl)phenyl]-4-methylheptane-3,5-diimine is CC/C(=N\c1c(C(C)C)cccc1C(C)C)C(C)/C(CC)=N/c1c(C(C)C)cccc1C(C)C.
What is the InChIKey of 3-N,5-N-bis[2,6-di(propan-2-yl)phenyl]-4-methylheptane-3,5-diimine?
The InChIKey is WQGMMHNFJSMRBR-BNRZXNFUSA-N. The full InChI is InChI=1S/C32H48N2/c1-12-29(33-31-25(20(3)4)16-14-17-26(31)21(5)6)24(11)30(13-2)34-32-27(22(7)8)18-15-19-28(32)23(9)10/h14-24H,12-13H2,1-11H3/b33-29+,34-30+.
What are the key properties of 3-N,5-N-bis[2,6-di(propan-2-yl)phenyl]-4-methylheptane-3,5-diimine?
3-N,5-N-bis[2,6-di(propan-2-yl)phenyl]-4-methylheptane-3,5-diimine has a molecular weight of 460.75 g/mol, XLogP of 10.48, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,5-N-bis[2,6-di(propan-2-yl)phenyl]-4-methylheptane-3,5-diimine is sourced from PubChem (CID 126613596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).