N-cyclohexyl-1-(1,3-dicyclohexylimidazol-1-ium-2-yl)methanimine perchlorate

C22H36ClN3O4 — CID 139232827

IUPACN-cyclohexyl-1-(1,3-dicyclohexylimidazol-1-ium-2-yl)methanimine perchlorate
SMILESC(=N/C1CCCCC1)\c1n(C2CCCCC2)cc[n+]1C1CCCCC1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C22H36N3.ClHO4/c1-4-10-19(11-5-1)23-18-22-24(20-12-6-2-7-13-20)16-17-25(22)21-14-8-3-9-15-21;2-1(3,4)5/h16-21H,1-15H2;(H,2,3,4,5)/q+1;/p-1/b23-18+;
InChIKeyGBAYJFQECRLOSI-XHMOQMQQSA-M
MW442.00 g/mol
LogP0.78
Rot. Bonds4

About N-cyclohexyl-1-(1,3-dicyclohexylimidazol-1-ium-2-yl)methanimine perchlorate

N-cyclohexyl-1-(1,3-dicyclohexylimidazol-1-ium-2-yl)methanimine perchlorate (PubChem CID 139232827) has the molecular formula C22H36ClN3O4 and a molecular weight of 442.00 g/mol. Its IUPAC name is N-cyclohexyl-1-(1,3-dicyclohexylimidazol-1-ium-2-yl)methanimine perchlorate.

Molecular Properties

Compound NameN-cyclohexyl-1-(1,3-dicyclohexylimidazol-1-ium-2-yl)methanimine perchlorate
PubChem CID139232827
Molecular FormulaC22H36ClN3O4
Molecular Weight442.00 g/mol
Exact Mass441.24
IUPAC NameN-cyclohexyl-1-(1,3-dicyclohexylimidazol-1-ium-2-yl)methanimine perchlorate
SMILESC(=N/C1CCCCC1)\c1n(C2CCCCC2)cc[n+]1C1CCCCC1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C22H36N3.ClHO4/c1-4-10-19(11-5-1)23-18-22-24(20-12-6-2-7-13-20)16-17-25(22)21-14-8-3-9-15-21;2-1(3,4)5/h16-21H,1-15H2;(H,2,3,4,5)/q+1;/p-1/b23-18+;
InChIKeyGBAYJFQECRLOSI-XHMOQMQQSA-M
XLogP0.78
TPSA113.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.00
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1,3-dicyclohexylimidazol-1-ium-2-carbaldehyde
CID 102429803
1-(1,3-dicyclohexylimidazol-1-ium-2-yl)ethenol
CID 88932002
1,3-dicyclohexylimidazol-1-ium-2-carbothioate
CID 56931458
N-cyclohexyl-1-[5-(cyclohexyliminomethyl)thiophen-2-yl]methanimine
CID 15443759
N-cyclohexyl-1-(1-methylpyridin-1-ium-3-yl)methanimine
CID 23065116
1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-N-(4-propan-2-ylphenyl)methanimine
CID 21209348
3-(cyclooctyliminomethyl)-1H-indol-2-ol
CID 2256129
zinc bis(2-(cyclohexyliminomethyl)phenolate)
CID 139067866
4-chloro-2-(cyclohexyliminomethyl)aniline
CID 71444864
4-(cyclohexyliminomethyl)-2-iodophenol
CID 135625712
6-chloro-5-(cyclopentyliminomethyl)pyrimidin-4-amine
CID 143678528
N-cyclohexyl-1-(1-hydroxy-2,2,5,5-tetramethyl-3-oxidoimidazol-3-ium-4-yl)methanimine
CID 23269854

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(1,3-dicyclohexylimidazol-1-ium-2-yl)methanimine perchlorate?
The IUPAC name of N-cyclohexyl-1-(1,3-dicyclohexylimidazol-1-ium-2-yl)methanimine perchlorate (CID 139232827) is N-cyclohexyl-1-(1,3-dicyclohexylimidazol-1-ium-2-yl)methanimine perchlorate.
What is the SMILES notation for N-cyclohexyl-1-(1,3-dicyclohexylimidazol-1-ium-2-yl)methanimine perchlorate?
The canonical SMILES for N-cyclohexyl-1-(1,3-dicyclohexylimidazol-1-ium-2-yl)methanimine perchlorate is C(=N/C1CCCCC1)\c1n(C2CCCCC2)cc[n+]1C1CCCCC1.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of N-cyclohexyl-1-(1,3-dicyclohexylimidazol-1-ium-2-yl)methanimine perchlorate?
The InChIKey is GBAYJFQECRLOSI-XHMOQMQQSA-M. The full InChI is InChI=1S/C22H36N3.ClHO4/c1-4-10-19(11-5-1)23-18-22-24(20-12-6-2-7-13-20)16-17-25(22)21-14-8-3-9-15-21;2-1(3,4)5/h16-21H,1-15H2;(H,2,3,4,5)/q+1;/p-1/b23-18+;.
What are the key properties of N-cyclohexyl-1-(1,3-dicyclohexylimidazol-1-ium-2-yl)methanimine perchlorate?
N-cyclohexyl-1-(1,3-dicyclohexylimidazol-1-ium-2-yl)methanimine perchlorate has a molecular weight of 442.00 g/mol, XLogP of 0.78, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(1,3-dicyclohexylimidazol-1-ium-2-yl)methanimine perchlorate is sourced from PubChem (CID 139232827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).