N-[(2Z,4E,6E)-7-(4-tert-butylphenyl)-5-methylhepta-2,4,6-trien-2-yl]methanimine

C19H25N — CID 126746262

IUPACN-[(2Z,4E,6E)-7-(4-tert-butylphenyl)-5-methylhepta-2,4,6-trien-2-yl]methanimine
SMILESC=N/C(C)=C\C=C(C)\C=C\c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H25N/c1-15(7-9-16(2)20-6)8-10-17-11-13-18(14-12-17)19(3,4)5/h7-14H,6H2,1-5H3/b10-8+,15-7+,16-9-
InChIKeyYHSWJSNMTLIKGX-PBKQAORYSA-N
MW267.42 g/mol
LogP5.55
Rot. Bonds4

About N-[(2Z,4E,6E)-7-(4-tert-butylphenyl)-5-methylhepta-2,4,6-trien-2-yl]methanimine

N-[(2Z,4E,6E)-7-(4-tert-butylphenyl)-5-methylhepta-2,4,6-trien-2-yl]methanimine (PubChem CID 126746262) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is N-[(2Z,4E,6E)-7-(4-tert-butylphenyl)-5-methylhepta-2,4,6-trien-2-yl]methanimine.

Molecular Properties

Compound NameN-[(2Z,4E,6E)-7-(4-tert-butylphenyl)-5-methylhepta-2,4,6-trien-2-yl]methanimine
PubChem CID126746262
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC NameN-[(2Z,4E,6E)-7-(4-tert-butylphenyl)-5-methylhepta-2,4,6-trien-2-yl]methanimine
SMILESC=N/C(C)=C\C=C(C)\C=C\c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H25N/c1-15(7-9-16(2)20-6)8-10-17-11-13-18(14-12-17)19(3,4)5/h7-14H,6H2,1-5H3/b10-8+,15-7+,16-9-
InChIKeyYHSWJSNMTLIKGX-PBKQAORYSA-N
XLogP5.55
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.42
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(2Z,4E,6E)-7-(4-tert-butylphenyl)-5-methylhepta-2,4,6-trien-2-yl]methanimine with MolForge

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Related Compounds

1,4-bis[(Z)-2-(4-tert-butylphenyl)ethenyl]benzene
CID 102332044
(E)-3-(4-tert-butylphenyl)prop-2-enamide
CID 47130646
1-[(1E,3E,5Z)-3,6-dimethylocta-1,3,5,7-tetraenyl]-4-methylbenzene;ethane
CID 142174237
(Z)-3-(4-tert-butylphenyl)-2-methylprop-2-enal
CID 22791862
1-[(1E)-4-methyl-3-methylidenepenta-1,4-dienyl]-4-(trifluoromethyl)benzene
CID 145089374
(E)-3-[4-(1,1-difluoroethyl)phenyl]prop-2-enoic acid
CID 116991834
3-methyl-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoic acid
CID 173277317
4-(4-tert-butylphenyl)-1-chlorobut-3-en-2-one
CID 77040337
[(1E,3Z)-3-methylhexa-1,3,5-trienyl]benzene
CID 165151781
bis((4-tert-butylphenyl) (E)-3-[4-(4-tert-butylphenyl)phenyl]prop-2-enoate);bis([4-(4-tert-butylphenyl)phenyl] (E)-3-(4-tert-butylphenyl)prop-2-enoate);ethane
CID 162204319
1-tert-butyl-4-[(E)-3,3-dimethylbut-1-enyl]benzene
CID 22712636
1-methyl-4-[3,7,12,16-tetramethyl-18-(4-methylphenyl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]benzene
CID 153329326

Frequently Asked Questions

What is the IUPAC name of N-[(2Z,4E,6E)-7-(4-tert-butylphenyl)-5-methylhepta-2,4,6-trien-2-yl]methanimine?
The IUPAC name of N-[(2Z,4E,6E)-7-(4-tert-butylphenyl)-5-methylhepta-2,4,6-trien-2-yl]methanimine (CID 126746262) is N-[(2Z,4E,6E)-7-(4-tert-butylphenyl)-5-methylhepta-2,4,6-trien-2-yl]methanimine.
What is the SMILES notation for N-[(2Z,4E,6E)-7-(4-tert-butylphenyl)-5-methylhepta-2,4,6-trien-2-yl]methanimine?
The canonical SMILES for N-[(2Z,4E,6E)-7-(4-tert-butylphenyl)-5-methylhepta-2,4,6-trien-2-yl]methanimine is C=N/C(C)=C\C=C(C)\C=C\c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[(2Z,4E,6E)-7-(4-tert-butylphenyl)-5-methylhepta-2,4,6-trien-2-yl]methanimine?
The InChIKey is YHSWJSNMTLIKGX-PBKQAORYSA-N. The full InChI is InChI=1S/C19H25N/c1-15(7-9-16(2)20-6)8-10-17-11-13-18(14-12-17)19(3,4)5/h7-14H,6H2,1-5H3/b10-8+,15-7+,16-9-.
What are the key properties of N-[(2Z,4E,6E)-7-(4-tert-butylphenyl)-5-methylhepta-2,4,6-trien-2-yl]methanimine?
N-[(2Z,4E,6E)-7-(4-tert-butylphenyl)-5-methylhepta-2,4,6-trien-2-yl]methanimine has a molecular weight of 267.42 g/mol, XLogP of 5.55, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z,4E,6E)-7-(4-tert-butylphenyl)-5-methylhepta-2,4,6-trien-2-yl]methanimine is sourced from PubChem (CID 126746262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).