1-(2,4,6-trimethylphenyl)-N-[2-[(2,4,6-trimethylphenyl)methylideneamino]cyclohexyl]methanimine

C26H34N2 — CID 21337637

IUPAC1-(2,4,6-trimethylphenyl)-N-[2-[(2,4,6-trimethylphenyl)methylideneamino]cyclohexyl]methanimine
SMILESCc1cc(C)c(/C=N/C2CCCCC2/N=C/c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C26H34N2/c1-17-11-19(3)23(20(4)12-17)15-27-25-9-7-8-10-26(25)28-16-24-21(5)13-18(2)14-22(24)6/h11-16,25-26H,7-10H2,1-6H3/b27-15+,28-16+
InChIKeyQYQPZCXUUBVVSO-DPCVLPDWSA-N
MW374.57 g/mol
LogP6.39
Rot. Bonds4

About 1-(2,4,6-trimethylphenyl)-N-[2-[(2,4,6-trimethylphenyl)methylideneamino]cyclohexyl]methanimine

1-(2,4,6-trimethylphenyl)-N-[2-[(2,4,6-trimethylphenyl)methylideneamino]cyclohexyl]methanimine (PubChem CID 21337637) has the molecular formula C26H34N2 and a molecular weight of 374.57 g/mol. Its IUPAC name is 1-(2,4,6-trimethylphenyl)-N-[2-[(2,4,6-trimethylphenyl)methylideneamino]cyclohexyl]methanimine.

Molecular Properties

Compound Name1-(2,4,6-trimethylphenyl)-N-[2-[(2,4,6-trimethylphenyl)methylideneamino]cyclohexyl]methanimine
PubChem CID21337637
Molecular FormulaC26H34N2
Molecular Weight374.57 g/mol
Exact Mass374.27
IUPAC Name1-(2,4,6-trimethylphenyl)-N-[2-[(2,4,6-trimethylphenyl)methylideneamino]cyclohexyl]methanimine
SMILESCc1cc(C)c(/C=N/C2CCCCC2/N=C/c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C26H34N2/c1-17-11-19(3)23(20(4)12-17)15-27-25-9-7-8-10-26(25)28-16-24-21(5)13-18(2)14-22(24)6/h11-16,25-26H,7-10H2,1-6H3/b27-15+,28-16+
InChIKeyQYQPZCXUUBVVSO-DPCVLPDWSA-N
XLogP6.39
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.57
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2,4,6-trimethylphenyl)-N-[2-[(2,4,6-trimethylphenyl)methylideneamino]cyclohexyl]methanimine with MolForge

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Related Compounds

N,N-Dimethyl-1-(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)methanamine
CID 3068611
7-Methyl-1-phenyl-3,4-dihydroisoquinoline;hydrochloride
CID 90672430
N-cyclohexyl-1-naphthalen-1-ylmethanimine
CID 11241871
N-[(1R,2R)-2-(benzylideneamino)cyclohexyl]-1-phenylmethanimine
CID 11818613
N-[(1S,2S)-1,2-diphenyl-2-[(2,4,6-trimethylphenyl)methylideneamino]ethyl]-1-(2,4,6-trimethylphenyl)methanimine
CID 12181686
1,2-Di(2,4,6-trimethylbenzylideneamino)-1,2-diphenylethane
CID 18988850
6-Methyl-1-phenyl-3,4-dihydroisoquinoline
CID 59824493
7-Methyl-1-phenyl-3,4-dihydroisoquinoline
CID 14998909
8-ethyl-4-[(3-fluorophenyl)methyl]-3-methyl-4,5-dihydro-3H-2-benzazepine
CID 123862626
(Z)-4-fluoro-N-[4-methylidene-7-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)nona-7,8-dien-3-yl]but-2-en-1-imine
CID 138480382
6-(4-fluorophenyl)-3,3-dimethyl-4H-isoquinoline
CID 139405032
4-(1,1-difluoroethyl)-1,2-dimethylbenzene;(2E,4E)-4-methyl-N-(3-methylidene-6-propylnonyl)-2,3-bis(4-methylphenyl)hexa-2,4-dien-1-imine
CID 143072020

Frequently Asked Questions

What is the IUPAC name of 1-(2,4,6-trimethylphenyl)-N-[2-[(2,4,6-trimethylphenyl)methylideneamino]cyclohexyl]methanimine?
The IUPAC name of 1-(2,4,6-trimethylphenyl)-N-[2-[(2,4,6-trimethylphenyl)methylideneamino]cyclohexyl]methanimine (CID 21337637) is 1-(2,4,6-trimethylphenyl)-N-[2-[(2,4,6-trimethylphenyl)methylideneamino]cyclohexyl]methanimine.
What is the SMILES notation for 1-(2,4,6-trimethylphenyl)-N-[2-[(2,4,6-trimethylphenyl)methylideneamino]cyclohexyl]methanimine?
The canonical SMILES for 1-(2,4,6-trimethylphenyl)-N-[2-[(2,4,6-trimethylphenyl)methylideneamino]cyclohexyl]methanimine is Cc1cc(C)c(/C=N/C2CCCCC2/N=C/c2c(C)cc(C)cc2C)c(C)c1.
What is the InChIKey of 1-(2,4,6-trimethylphenyl)-N-[2-[(2,4,6-trimethylphenyl)methylideneamino]cyclohexyl]methanimine?
The InChIKey is QYQPZCXUUBVVSO-DPCVLPDWSA-N. The full InChI is InChI=1S/C26H34N2/c1-17-11-19(3)23(20(4)12-17)15-27-25-9-7-8-10-26(25)28-16-24-21(5)13-18(2)14-22(24)6/h11-16,25-26H,7-10H2,1-6H3/b27-15+,28-16+.
What are the key properties of 1-(2,4,6-trimethylphenyl)-N-[2-[(2,4,6-trimethylphenyl)methylideneamino]cyclohexyl]methanimine?
1-(2,4,6-trimethylphenyl)-N-[2-[(2,4,6-trimethylphenyl)methylideneamino]cyclohexyl]methanimine has a molecular weight of 374.57 g/mol, XLogP of 6.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,6-trimethylphenyl)-N-[2-[(2,4,6-trimethylphenyl)methylideneamino]cyclohexyl]methanimine is sourced from PubChem (CID 21337637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).