N-(2,6-ditert-butylphenyl)octan-1-imine

C22H37N — CID 42636627

IUPACN-(2,6-ditert-butylphenyl)octan-1-imine
SMILESCCCCCCC/C=N/c1c(C(C)(C)C)cccc1C(C)(C)C
InChIInChI=1S/C22H37N/c1-8-9-10-11-12-13-17-23-20-18(21(2,3)4)15-14-16-19(20)22(5,6)7/h14-17H,8-13H2,1-7H3/b23-17+
InChIKeyLQEOYRDSEXRVLB-HAVVHWLPSA-N
MW315.55 g/mol
LogP7.34
Rot. Bonds7

About N-(2,6-ditert-butylphenyl)octan-1-imine

N-(2,6-ditert-butylphenyl)octan-1-imine (PubChem CID 42636627) has the molecular formula C22H37N and a molecular weight of 315.55 g/mol. Its IUPAC name is N-(2,6-ditert-butylphenyl)octan-1-imine.

Molecular Properties

Compound NameN-(2,6-ditert-butylphenyl)octan-1-imine
PubChem CID42636627
Molecular FormulaC22H37N
Molecular Weight315.55 g/mol
Exact Mass315.29
IUPAC NameN-(2,6-ditert-butylphenyl)octan-1-imine
SMILESCCCCCCC/C=N/c1c(C(C)(C)C)cccc1C(C)(C)C
InChIInChI=1S/C22H37N/c1-8-9-10-11-12-13-17-23-20-18(21(2,3)4)15-14-16-19(20)22(5,6)7/h14-17H,8-13H2,1-7H3/b23-17+
InChIKeyLQEOYRDSEXRVLB-HAVVHWLPSA-N
XLogP7.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.55
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,3-ditert-butyl-2-tridecylbenzene
CID 56637291
2-(nonylideneamino)phenol
CID 100954410
N-(2,3,4,5,6-pentafluorophenyl)hexan-1-imine
CID 11242538
N-(4-methylphenyl)nonan-1-imine
CID 10998858
N-(2-methoxyphenyl)undecan-1-imine
CID 135078926
(2,6-ditert-butylphenyl) octadecanoate
CID 174610698
2-tert-butyl-6-pentadecylphenol
CID 151192860
N-(4-chlorophenyl)hexan-1-imine
CID 91100522
N-[4-[3-[3-(undecylideneamino)phenyl]propyl]phenyl]undecan-1-imine
CID 67216088
2-(heptylideneamino)benzoic acid
CID 24833810
(E)-N-diphenylphosphorylheptan-1-imine
CID 134884295
N-benzyldecan-1-imine
CID 11276634

Frequently Asked Questions

What is the IUPAC name of N-(2,6-ditert-butylphenyl)octan-1-imine?
The IUPAC name of N-(2,6-ditert-butylphenyl)octan-1-imine (CID 42636627) is N-(2,6-ditert-butylphenyl)octan-1-imine.
What is the SMILES notation for N-(2,6-ditert-butylphenyl)octan-1-imine?
The canonical SMILES for N-(2,6-ditert-butylphenyl)octan-1-imine is CCCCCCC/C=N/c1c(C(C)(C)C)cccc1C(C)(C)C.
What is the InChIKey of N-(2,6-ditert-butylphenyl)octan-1-imine?
The InChIKey is LQEOYRDSEXRVLB-HAVVHWLPSA-N. The full InChI is InChI=1S/C22H37N/c1-8-9-10-11-12-13-17-23-20-18(21(2,3)4)15-14-16-19(20)22(5,6)7/h14-17H,8-13H2,1-7H3/b23-17+.
What are the key properties of N-(2,6-ditert-butylphenyl)octan-1-imine?
N-(2,6-ditert-butylphenyl)octan-1-imine has a molecular weight of 315.55 g/mol, XLogP of 7.34, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-ditert-butylphenyl)octan-1-imine is sourced from PubChem (CID 42636627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).