N-[4-[[3,5-diethyl-4-(propan-2-ylideneamino)phenyl]methyl]-2,6-diethylphenyl]propan-2-imine

C27H38N2 — CID 86608149

IUPACN-[4-[[3,5-diethyl-4-(propan-2-ylideneamino)phenyl]methyl]-2,6-diethylphenyl]propan-2-imine
SMILESCCc1cc(Cc2cc(CC)c(N=C(C)C)c(CC)c2)cc(CC)c1N=C(C)C
InChIInChI=1S/C27H38N2/c1-9-22-14-20(15-23(10-2)26(22)28-18(5)6)13-21-16-24(11-3)27(29-19(7)8)25(12-4)17-21/h14-17H,9-13H2,1-8H3
InChIKeyQWPWYWSMEUHNAR-UHFFFAOYSA-N
MW390.62 g/mol
LogP7.75
Rot. Bonds8

About N-[4-[[3,5-diethyl-4-(propan-2-ylideneamino)phenyl]methyl]-2,6-diethylphenyl]propan-2-imine

N-[4-[[3,5-diethyl-4-(propan-2-ylideneamino)phenyl]methyl]-2,6-diethylphenyl]propan-2-imine (PubChem CID 86608149) has the molecular formula C27H38N2 and a molecular weight of 390.62 g/mol. Its IUPAC name is N-[4-[[3,5-diethyl-4-(propan-2-ylideneamino)phenyl]methyl]-2,6-diethylphenyl]propan-2-imine.

Molecular Properties

Compound NameN-[4-[[3,5-diethyl-4-(propan-2-ylideneamino)phenyl]methyl]-2,6-diethylphenyl]propan-2-imine
PubChem CID86608149
Molecular FormulaC27H38N2
Molecular Weight390.62 g/mol
Exact Mass390.30
IUPAC NameN-[4-[[3,5-diethyl-4-(propan-2-ylideneamino)phenyl]methyl]-2,6-diethylphenyl]propan-2-imine
SMILESCCc1cc(Cc2cc(CC)c(N=C(C)C)c(CC)c2)cc(CC)c1N=C(C)C
InChIInChI=1S/C27H38N2/c1-9-22-14-20(15-23(10-2)26(22)28-18(5)6)13-21-16-24(11-3)27(29-19(7)8)25(12-4)17-21/h14-17H,9-13H2,1-8H3
InChIKeyQWPWYWSMEUHNAR-UHFFFAOYSA-N
XLogP7.75
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.62
LogP ≤ 57.75
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

4-[(3,5-diethyl-4-hydroxyphenyl)methyl]-2,6-diethylphenol
CID 22999667
1-[4-chloro-6-[C-methyl-N-(2,4,6-triethylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2,4,6-triethylphenyl)ethanimine;iron(3+);trichloride
CID 173244998
cobalt(3+);1-[4-methyl-6-[C-methyl-N-(2,4,6-triethylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2,4,6-triethylphenyl)ethanimine;trichloride
CID 173244057
methyl N-[4-[[4-[[(1,3-dimethylimidazol-1-ium-2-yl)-methoxymethylidene]amino]-3-ethyl-5-methylphenyl]methyl]-2-ethyl-6-methylphenyl]-1,3-dimethylimidazol-1-ium-2-carboximidate
CID 155029464
2-(4-chloro-2,6-diethylphenyl)guanidine
CID 57107776
5-[(3,5-dimethylphenyl)methyl]-1,3-diethyl-2-methylbenzene
CID 145013287
N-[4-[[4-(propan-2-ylideneamino)phenyl]methyl]phenyl]propan-2-imine
CID 90443817
N-[4-[[3,5-diethyl-4-(pyridin-2-ylmethylideneamino)phenyl]methyl]-2,6-diethylphenyl]-1-pyridin-2-ylmethanimine
CID 11445939
2,6-bis[(3-ethyl-4-hydroxy-5-methylphenyl)methyl]-4-methylphenol
CID 134464799
(2,4,6-triethylphenyl)aluminum(2+)
CID 22768319
4-[(4-amino-3,5-diethylphenyl)methyl]-2-ethyl-6-methylaniline;4-[(4-amino-3,5-dimethylphenyl)methyl]-2,6-dimethylaniline;4-[(4-amino-3-ethyl-5-methylphenyl)methyl]-2-ethyl-6-methylaniline
CID 158632790
2-(4-chloro-2,6-diethylphenyl)-1-(diaminomethylidene)guanidine
CID 23348887

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3,5-diethyl-4-(propan-2-ylideneamino)phenyl]methyl]-2,6-diethylphenyl]propan-2-imine?
The IUPAC name of N-[4-[[3,5-diethyl-4-(propan-2-ylideneamino)phenyl]methyl]-2,6-diethylphenyl]propan-2-imine (CID 86608149) is N-[4-[[3,5-diethyl-4-(propan-2-ylideneamino)phenyl]methyl]-2,6-diethylphenyl]propan-2-imine.
What is the SMILES notation for N-[4-[[3,5-diethyl-4-(propan-2-ylideneamino)phenyl]methyl]-2,6-diethylphenyl]propan-2-imine?
The canonical SMILES for N-[4-[[3,5-diethyl-4-(propan-2-ylideneamino)phenyl]methyl]-2,6-diethylphenyl]propan-2-imine is CCc1cc(Cc2cc(CC)c(N=C(C)C)c(CC)c2)cc(CC)c1N=C(C)C.
What is the InChIKey of N-[4-[[3,5-diethyl-4-(propan-2-ylideneamino)phenyl]methyl]-2,6-diethylphenyl]propan-2-imine?
The InChIKey is QWPWYWSMEUHNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N2/c1-9-22-14-20(15-23(10-2)26(22)28-18(5)6)13-21-16-24(11-3)27(29-19(7)8)25(12-4)17-21/h14-17H,9-13H2,1-8H3.
What are the key properties of N-[4-[[3,5-diethyl-4-(propan-2-ylideneamino)phenyl]methyl]-2,6-diethylphenyl]propan-2-imine?
N-[4-[[3,5-diethyl-4-(propan-2-ylideneamino)phenyl]methyl]-2,6-diethylphenyl]propan-2-imine has a molecular weight of 390.62 g/mol, XLogP of 7.75, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3,5-diethyl-4-(propan-2-ylideneamino)phenyl]methyl]-2,6-diethylphenyl]propan-2-imine is sourced from PubChem (CID 86608149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).