1-cyclohexyl-N-(4-methylcyclohexyl)methanimine;(3-hydroxycyclohexyl) 4-[(4-hydroxycyclohexyl)iminomethyl]cyclohexane-1-carboxylate

C34H58N2O4 — CID 143194507

IUPAC1-cyclohexyl-N-(4-methylcyclohexyl)methanimine;(3-hydroxycyclohexyl) 4-[(4-hydroxycyclohexyl)iminomethyl]cyclohexane-1-carboxylate
SMILESCC1CCC(/N=C/C2CCCCC2)CC1.O=C(OC1CCCC(O)C1)C1CCC(/C=N/C2CCC(O)CC2)CC1
InChIInChI=1S/C20H33NO4.C14H25N/c22-17-10-8-16(9-11-17)21-13-14-4-6-15(7-5-14)20(24)25-19-3-1-2-18(23)12-19;1-12-7-9-14(10-8-12)15-11-13-5-3-2-4-6-13/h13-19,22-23H,1-12H2;11-14H,2-10H2,1H3/b21-13+;15-11+
InChIKeyGZCSPELVYQHMLF-SJWGVAEDSA-N
MW558.85 g/mol
LogP7.23
Rot. Bonds6

About 1-cyclohexyl-N-(4-methylcyclohexyl)methanimine;(3-hydroxycyclohexyl) 4-[(4-hydroxycyclohexyl)iminomethyl]cyclohexane-1-carboxylate

1-cyclohexyl-N-(4-methylcyclohexyl)methanimine;(3-hydroxycyclohexyl) 4-[(4-hydroxycyclohexyl)iminomethyl]cyclohexane-1-carboxylate (PubChem CID 143194507) has the molecular formula C34H58N2O4 and a molecular weight of 558.85 g/mol. Its IUPAC name is 1-cyclohexyl-N-(4-methylcyclohexyl)methanimine;(3-hydroxycyclohexyl) 4-[(4-hydroxycyclohexyl)iminomethyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Name1-cyclohexyl-N-(4-methylcyclohexyl)methanimine;(3-hydroxycyclohexyl) 4-[(4-hydroxycyclohexyl)iminomethyl]cyclohexane-1-carboxylate
PubChem CID143194507
Molecular FormulaC34H58N2O4
Molecular Weight558.85 g/mol
Exact Mass558.44
IUPAC Name1-cyclohexyl-N-(4-methylcyclohexyl)methanimine;(3-hydroxycyclohexyl) 4-[(4-hydroxycyclohexyl)iminomethyl]cyclohexane-1-carboxylate
SMILESCC1CCC(/N=C/C2CCCCC2)CC1.O=C(OC1CCCC(O)C1)C1CCC(/C=N/C2CCC(O)CC2)CC1
InChIInChI=1S/C20H33NO4.C14H25N/c22-17-10-8-16(9-11-17)21-13-14-4-6-15(7-5-14)20(24)25-19-3-1-2-18(23)12-19;1-12-7-9-14(10-8-12)15-11-13-5-3-2-4-6-13/h13-19,22-23H,1-12H2;11-14H,2-10H2,1H3/b21-13+;15-11+
InChIKeyGZCSPELVYQHMLF-SJWGVAEDSA-N
XLogP7.23
TPSA91.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.85
LogP ≤ 57.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(4-methylcyclohexyl) 4-(cyclohexanecarbonyloxy)cyclohexane-1-carboxylate
CID 58650724
cyclopentyl cyclopropanecarboxylate;ethane
CID 145397481
(4-methylcyclohexyl) 4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexane-1-carboxylate
CID 59938787
cyclooctyl cyclooctanecarboxylate
CID 57160377
[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl] 4-methylcyclohexane-1-carboxylate
CID 20730861
(3,3,5-trimethylcyclohexyl) 4-hydroxycyclohexane-1-carboxylate
CID 71616044
N-cyclopentyl-1-cyclopropylmethanimine
CID 135072127
4-cyclohexyloxycarbonylcyclohexane-1-carboxylic acid
CID 23444122
[4-(cyclohexanecarbonyloxy)cyclohexyl] cyclohexanecarboxylate
CID 118132173
4-methyl-N-[(E)-[4-[(E)-[(4-methylcyclohexanecarbonyl)hydrazinylidene]methyl]cyclohexyl]methylideneamino]cyclohexane-1-carboxamide
CID 88904417
(3,4,5-trimethylcyclohexyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate
CID 59929179
(3-methylcyclohexyl) 3-aminocyclopentane-1-carboxylate
CID 66031402

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-(4-methylcyclohexyl)methanimine;(3-hydroxycyclohexyl) 4-[(4-hydroxycyclohexyl)iminomethyl]cyclohexane-1-carboxylate?
The IUPAC name of 1-cyclohexyl-N-(4-methylcyclohexyl)methanimine;(3-hydroxycyclohexyl) 4-[(4-hydroxycyclohexyl)iminomethyl]cyclohexane-1-carboxylate (CID 143194507) is 1-cyclohexyl-N-(4-methylcyclohexyl)methanimine;(3-hydroxycyclohexyl) 4-[(4-hydroxycyclohexyl)iminomethyl]cyclohexane-1-carboxylate.
What is the SMILES notation for 1-cyclohexyl-N-(4-methylcyclohexyl)methanimine;(3-hydroxycyclohexyl) 4-[(4-hydroxycyclohexyl)iminomethyl]cyclohexane-1-carboxylate?
The canonical SMILES for 1-cyclohexyl-N-(4-methylcyclohexyl)methanimine;(3-hydroxycyclohexyl) 4-[(4-hydroxycyclohexyl)iminomethyl]cyclohexane-1-carboxylate is CC1CCC(/N=C/C2CCCCC2)CC1.O=C(OC1CCCC(O)C1)C1CCC(/C=N/C2CCC(O)CC2)CC1.
What is the InChIKey of 1-cyclohexyl-N-(4-methylcyclohexyl)methanimine;(3-hydroxycyclohexyl) 4-[(4-hydroxycyclohexyl)iminomethyl]cyclohexane-1-carboxylate?
The InChIKey is GZCSPELVYQHMLF-SJWGVAEDSA-N. The full InChI is InChI=1S/C20H33NO4.C14H25N/c22-17-10-8-16(9-11-17)21-13-14-4-6-15(7-5-14)20(24)25-19-3-1-2-18(23)12-19;1-12-7-9-14(10-8-12)15-11-13-5-3-2-4-6-13/h13-19,22-23H,1-12H2;11-14H,2-10H2,1H3/b21-13+;15-11+.
What are the key properties of 1-cyclohexyl-N-(4-methylcyclohexyl)methanimine;(3-hydroxycyclohexyl) 4-[(4-hydroxycyclohexyl)iminomethyl]cyclohexane-1-carboxylate?
1-cyclohexyl-N-(4-methylcyclohexyl)methanimine;(3-hydroxycyclohexyl) 4-[(4-hydroxycyclohexyl)iminomethyl]cyclohexane-1-carboxylate has a molecular weight of 558.85 g/mol, XLogP of 7.23, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-(4-methylcyclohexyl)methanimine;(3-hydroxycyclohexyl) 4-[(4-hydroxycyclohexyl)iminomethyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 143194507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).