2-methyl-N-[4-[[3-[(2-methylcyclohexylidene)amino]phenyl]methyl]phenyl]cyclohexan-1-imine

C27H34N2 — CID 141153276

IUPAC2-methyl-N-[4-[[3-[(2-methylcyclohexylidene)amino]phenyl]methyl]phenyl]cyclohexan-1-imine
SMILESCC1CCCC/C1=N/c1ccc(Cc2cccc(/N=C3/CCCCC3C)c2)cc1
InChIInChI=1S/C27H34N2/c1-20-8-3-5-12-26(20)28-24-16-14-22(15-17-24)18-23-10-7-11-25(19-23)29-27-13-6-4-9-21(27)2/h7,10-11,14-17,19-21H,3-6,8-9,12-13,18H2,1-2H3/b28-26-,29-27-
InChIKeyHUOWFDPORVFITP-UKDOXLPISA-N
MW386.58 g/mol
LogP7.84
Rot. Bonds4

About 2-methyl-N-[4-[[3-[(2-methylcyclohexylidene)amino]phenyl]methyl]phenyl]cyclohexan-1-imine

2-methyl-N-[4-[[3-[(2-methylcyclohexylidene)amino]phenyl]methyl]phenyl]cyclohexan-1-imine (PubChem CID 141153276) has the molecular formula C27H34N2 and a molecular weight of 386.58 g/mol. Its IUPAC name is 2-methyl-N-[4-[[3-[(2-methylcyclohexylidene)amino]phenyl]methyl]phenyl]cyclohexan-1-imine.

Molecular Properties

Compound Name2-methyl-N-[4-[[3-[(2-methylcyclohexylidene)amino]phenyl]methyl]phenyl]cyclohexan-1-imine
PubChem CID141153276
Molecular FormulaC27H34N2
Molecular Weight386.58 g/mol
Exact Mass386.27
IUPAC Name2-methyl-N-[4-[[3-[(2-methylcyclohexylidene)amino]phenyl]methyl]phenyl]cyclohexan-1-imine
SMILESCC1CCCC/C1=N/c1ccc(Cc2cccc(/N=C3/CCCCC3C)c2)cc1
InChIInChI=1S/C27H34N2/c1-20-8-3-5-12-26(20)28-24-16-14-22(15-17-24)18-23-10-7-11-25(19-23)29-27-13-6-4-9-21(27)2/h7,10-11,14-17,19-21H,3-6,8-9,12-13,18H2,1-2H3/b28-26-,29-27-
InChIKeyHUOWFDPORVFITP-UKDOXLPISA-N
XLogP7.84
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.58
LogP ≤ 57.84
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

Magenta Base
CID 12448
Basic fuchsin
CID 12447
Pararosaniline
CID 11293
N-(Diphenylmethylene)aniline
CID 219140
2,3-Bis(2,6-diisopropylphenylimino)butane
CID 608871
C.I. Pigment Violet 3
CID 14885
N-p-Tolyl-2,2-diphenylvinylideneamine
CID 344832
2,3-Butanediimine, N,N'-bis(4-methylphenyl)-
CID 572234
Pararosaniline(1+)
CID 3740040
Aniline, 4,4'-methylenebis(N-(diphenylvinylidene)-
CID 208703
Fuchsin ren basic
CID 458935
4,4'-Methylenebis(N-benzylideneaniline)
CID 633047

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[[3-[(2-methylcyclohexylidene)amino]phenyl]methyl]phenyl]cyclohexan-1-imine?
The IUPAC name of 2-methyl-N-[4-[[3-[(2-methylcyclohexylidene)amino]phenyl]methyl]phenyl]cyclohexan-1-imine (CID 141153276) is 2-methyl-N-[4-[[3-[(2-methylcyclohexylidene)amino]phenyl]methyl]phenyl]cyclohexan-1-imine.
What is the SMILES notation for 2-methyl-N-[4-[[3-[(2-methylcyclohexylidene)amino]phenyl]methyl]phenyl]cyclohexan-1-imine?
The canonical SMILES for 2-methyl-N-[4-[[3-[(2-methylcyclohexylidene)amino]phenyl]methyl]phenyl]cyclohexan-1-imine is CC1CCCC/C1=N/c1ccc(Cc2cccc(/N=C3/CCCCC3C)c2)cc1.
What is the InChIKey of 2-methyl-N-[4-[[3-[(2-methylcyclohexylidene)amino]phenyl]methyl]phenyl]cyclohexan-1-imine?
The InChIKey is HUOWFDPORVFITP-UKDOXLPISA-N. The full InChI is InChI=1S/C27H34N2/c1-20-8-3-5-12-26(20)28-24-16-14-22(15-17-24)18-23-10-7-11-25(19-23)29-27-13-6-4-9-21(27)2/h7,10-11,14-17,19-21H,3-6,8-9,12-13,18H2,1-2H3/b28-26-,29-27-.
What are the key properties of 2-methyl-N-[4-[[3-[(2-methylcyclohexylidene)amino]phenyl]methyl]phenyl]cyclohexan-1-imine?
2-methyl-N-[4-[[3-[(2-methylcyclohexylidene)amino]phenyl]methyl]phenyl]cyclohexan-1-imine has a molecular weight of 386.58 g/mol, XLogP of 7.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[[3-[(2-methylcyclohexylidene)amino]phenyl]methyl]phenyl]cyclohexan-1-imine is sourced from PubChem (CID 141153276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).