N-[2,6-di(propan-2-yl)phenyl]-2,3-dimethylbut-1-en-1-imine

C18H27N — CID 13230672

IUPACN-[2,6-di(propan-2-yl)phenyl]-2,3-dimethylbut-1-en-1-imine
SMILESCC(=C=Nc1c(C(C)C)cccc1C(C)C)C(C)C
InChIInChI=1S/C18H27N/c1-12(2)15(7)11-19-18-16(13(3)4)9-8-10-17(18)14(5)6/h8-10,12-14H,1-7H3
InChIKeyKIWODDGAUKLEHN-UHFFFAOYSA-N
MW257.42 g/mol
LogP5.84
Rot. Bonds4

About N-[2,6-di(propan-2-yl)phenyl]-2,3-dimethylbut-1-en-1-imine

N-[2,6-di(propan-2-yl)phenyl]-2,3-dimethylbut-1-en-1-imine (PubChem CID 13230672) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-2,3-dimethylbut-1-en-1-imine.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-2,3-dimethylbut-1-en-1-imine
PubChem CID13230672
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-2,3-dimethylbut-1-en-1-imine
SMILESCC(=C=Nc1c(C(C)C)cccc1C(C)C)C(C)C
InChIInChI=1S/C18H27N/c1-12(2)15(7)11-19-18-16(13(3)4)9-8-10-17(18)14(5)6/h8-10,12-14H,1-7H3
InChIKeyKIWODDGAUKLEHN-UHFFFAOYSA-N
XLogP5.84
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500257.42
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N'-[2,6-di(propan-2-yl)phenyl]-N-(2-methyl-6-propan-2-ylphenyl)methanediimine
CID 20719131
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
N'-[2,6-di(propan-2-yl)phenyl]-N-(2-propan-2-yl-6-propylphenyl)methanediimine
CID 141391254
[2,6-di(propan-2-yl)phenyl]iminotantalum
CID 10864957
[2,6-di(propan-2-yl)phenyl]iminotitanium(2+)
CID 11564443
N-(2-methyl-6-propan-2-ylphenyl)propan-2-imine
CID 123174070
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-N-(2,6-diethylphenyl)-3-N-[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine;nickel
CID 87861081
3-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]pentane-2,4-dione
CID 102209493
N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;cobalt
CID 69498606
bis(2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine);nickel;toluene
CID 139138147

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2,3-dimethylbut-1-en-1-imine?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2,3-dimethylbut-1-en-1-imine (CID 13230672) is N-[2,6-di(propan-2-yl)phenyl]-2,3-dimethylbut-1-en-1-imine.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-2,3-dimethylbut-1-en-1-imine?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-2,3-dimethylbut-1-en-1-imine is CC(=C=Nc1c(C(C)C)cccc1C(C)C)C(C)C.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-2,3-dimethylbut-1-en-1-imine?
The InChIKey is KIWODDGAUKLEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-12(2)15(7)11-19-18-16(13(3)4)9-8-10-17(18)14(5)6/h8-10,12-14H,1-7H3.
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-2,3-dimethylbut-1-en-1-imine?
N-[2,6-di(propan-2-yl)phenyl]-2,3-dimethylbut-1-en-1-imine has a molecular weight of 257.42 g/mol, XLogP of 5.84, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-2,3-dimethylbut-1-en-1-imine is sourced from PubChem (CID 13230672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).