N-tert-butyl-4-[(4-fluorophenyl)methylimino]cyclohexa-1,5-dien-1-amine

C17H21FN2 — CID 140659149

IUPACN-tert-butyl-4-[(4-fluorophenyl)methylimino]cyclohexa-1,5-dien-1-amine
SMILESCC(C)(C)NC1=CC/C(=N\Cc2ccc(F)cc2)C=C1
InChIInChI=1S/C17H21FN2/c1-17(2,3)20-16-10-8-15(9-11-16)19-12-13-4-6-14(18)7-5-13/h4-8,10-11,20H,9,12H2,1-3H3/b19-15-
InChIKeyRCCJUZCIUUSORX-CYVLTUHYSA-N
MW272.37 g/mol
LogP4.00
Rot. Bonds3

About N-tert-butyl-4-[(4-fluorophenyl)methylimino]cyclohexa-1,5-dien-1-amine

N-tert-butyl-4-[(4-fluorophenyl)methylimino]cyclohexa-1,5-dien-1-amine (PubChem CID 140659149) has the molecular formula C17H21FN2 and a molecular weight of 272.37 g/mol. Its IUPAC name is N-tert-butyl-4-[(4-fluorophenyl)methylimino]cyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-[(4-fluorophenyl)methylimino]cyclohexa-1,5-dien-1-amine
PubChem CID140659149
Molecular FormulaC17H21FN2
Molecular Weight272.37 g/mol
Exact Mass272.17
IUPAC NameN-tert-butyl-4-[(4-fluorophenyl)methylimino]cyclohexa-1,5-dien-1-amine
SMILESCC(C)(C)NC1=CC/C(=N\Cc2ccc(F)cc2)C=C1
InChIInChI=1S/C17H21FN2/c1-17(2,3)20-16-10-8-15(9-11-16)19-12-13-4-6-14(18)7-5-13/h4-8,10-11,20H,9,12H2,1-3H3/b19-15-
InChIKeyRCCJUZCIUUSORX-CYVLTUHYSA-N
XLogP4.00
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-benzyl-7-(tert-butylimino)cyclohepta-1,3,5-trienamine
CID 767431
1-Benzylamino-7-benzylimino-1,3,5-cycloheptatriene
CID 1895489
N-[(1R)-1-phenylethyl]-7-[(1R)-1-phenylethyl]iminocyclohepta-1,3,5-trien-1-amine
CID 11759432
2-Phenyl-4,6-dimethyl-1,2-dihydropyrimidine
CID 12644471
N-tert-butyl-2-[(4-fluorophenyl)methylimino]cyclobutan-1-amine
CID 57004417
N-tert-butyl-2-[(3-fluorophenyl)methylimino]cyclobutan-1-amine
CID 57324956
N-benzyl-2-(5-fluoro-7H-indol-3-yl)ethanamine
CID 67231281
N-[(3,4-difluorophenyl)methyl]-1-[(2E)-3-ethenyl-2-ethylidene-6-methylpyrimidin-4-yl]ethenamine
CID 70293954
5-(2-fluorophenyl)-8H-pyrido[3,2-c]azepine
CID 70501223
(Z)-1-fluoro-2-N-methyl-4-N-methylidene-4-phenylbut-3-ene-2,4-diimine
CID 88578795
(Z)-4-[1-(2-fluorophenyl)ethenylimino]but-2-en-2-amine
CID 89170057
(2Z,4Z,7E)-2-N-(1-aminoethenyl)-8-(3,3-dimethylbutan-2-ylideneamino)-2-N-(2,2-dimethylpropyl)-8-(4-fluorophenyl)-7-methyl-6-methylideneocta-2,4,7-triene-2,3-diamine
CID 89367342

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[(4-fluorophenyl)methylimino]cyclohexa-1,5-dien-1-amine?
The IUPAC name of N-tert-butyl-4-[(4-fluorophenyl)methylimino]cyclohexa-1,5-dien-1-amine (CID 140659149) is N-tert-butyl-4-[(4-fluorophenyl)methylimino]cyclohexa-1,5-dien-1-amine.
What is the SMILES notation for N-tert-butyl-4-[(4-fluorophenyl)methylimino]cyclohexa-1,5-dien-1-amine?
The canonical SMILES for N-tert-butyl-4-[(4-fluorophenyl)methylimino]cyclohexa-1,5-dien-1-amine is CC(C)(C)NC1=CC/C(=N\Cc2ccc(F)cc2)C=C1.
What is the InChIKey of N-tert-butyl-4-[(4-fluorophenyl)methylimino]cyclohexa-1,5-dien-1-amine?
The InChIKey is RCCJUZCIUUSORX-CYVLTUHYSA-N. The full InChI is InChI=1S/C17H21FN2/c1-17(2,3)20-16-10-8-15(9-11-16)19-12-13-4-6-14(18)7-5-13/h4-8,10-11,20H,9,12H2,1-3H3/b19-15-.
What are the key properties of N-tert-butyl-4-[(4-fluorophenyl)methylimino]cyclohexa-1,5-dien-1-amine?
N-tert-butyl-4-[(4-fluorophenyl)methylimino]cyclohexa-1,5-dien-1-amine has a molecular weight of 272.37 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[(4-fluorophenyl)methylimino]cyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 140659149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).