[4-[2-[4-[bis(4-methylcyclohexyl)amino]cyclohexyl]ethenyl]cyclohexyl] 2-methylprop-2-enoate

C32H53NO2 — CID 140571106

IUPAC[4-[2-[4-[bis(4-methylcyclohexyl)amino]cyclohexyl]ethenyl]cyclohexyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CCC(C=CC2CCC(N(C3CCC(C)CC3)C3CCC(C)CC3)CC2)CC1
InChIInChI=1S/C32H53NO2/c1-23(2)32(34)35-31-21-13-27(14-22-31)10-9-26-11-19-30(20-12-26)33(28-15-5-24(3)6-16-28)29-17-7-25(4)8-18-29/h9-10,24-31H,1,5-8,11-22H2,2-4H3
InChIKeyAMRNLRXLEGJMIT-UHFFFAOYSA-N
MW483.78 g/mol
LogP8.24
Rot. Bonds7

About [4-[2-[4-[bis(4-methylcyclohexyl)amino]cyclohexyl]ethenyl]cyclohexyl] 2-methylprop-2-enoate

[4-[2-[4-[bis(4-methylcyclohexyl)amino]cyclohexyl]ethenyl]cyclohexyl] 2-methylprop-2-enoate (PubChem CID 140571106) has the molecular formula C32H53NO2 and a molecular weight of 483.78 g/mol. Its IUPAC name is [4-[2-[4-[bis(4-methylcyclohexyl)amino]cyclohexyl]ethenyl]cyclohexyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[4-[2-[4-[bis(4-methylcyclohexyl)amino]cyclohexyl]ethenyl]cyclohexyl] 2-methylprop-2-enoate
PubChem CID140571106
Molecular FormulaC32H53NO2
Molecular Weight483.78 g/mol
Exact Mass483.41
IUPAC Name[4-[2-[4-[bis(4-methylcyclohexyl)amino]cyclohexyl]ethenyl]cyclohexyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CCC(C=CC2CCC(N(C3CCC(C)CC3)C3CCC(C)CC3)CC2)CC1
InChIInChI=1S/C32H53NO2/c1-23(2)32(34)35-31-21-13-27(14-22-31)10-9-26-11-19-30(20-12-26)33(28-15-5-24(3)6-16-28)29-17-7-25(4)8-18-29/h9-10,24-31H,1,5-8,11-22H2,2-4H3
InChIKeyAMRNLRXLEGJMIT-UHFFFAOYSA-N
XLogP8.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.78
LogP ≤ 58.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [4-[2-[4-[bis(4-methylcyclohexyl)amino]cyclohexyl]ethenyl]cyclohexyl] 2-methylprop-2-enoate with MolForge

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Related Compounds

[4-[4-[cyclohexyl-(4-cyclohexylcyclohexyl)amino]cyclohexyl]cyclohexyl] 2-methylprop-2-enoate
CID 140571076
(4-methylcyclohexyl) 4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexane-1-carboxylate
CID 59938787
N-[4-[4-[(E)-2-[4-[cyclohexyl-(4-methoxycyclohexyl)amino]cyclohexyl]ethenyl]cyclohexyl]cyclohexyl]-4-methyl-N-(4-methylcyclohexyl)cyclohexan-1-amine
CID 140503086
N-[4-[(E)-2-[4-[4-(dicyclohexylamino)cyclohexyl]cyclohexyl]ethenyl]cyclohexyl]-4-methyl-N-(4-methylcyclohexyl)cyclohexan-1-amine
CID 140503123
cyclohexyl 2-methylprop-2-enoate;2-methylprop-1-ene
CID 174922373
[4-[4-(2-methylprop-2-enoyloxy)cyclohexyl]cycloheptyl] 2-methylprop-2-enoate
CID 126595758
(4-ethoxycyclohexyl) 2-methylprop-2-enoate
CID 147130930
(4-methylcyclohexyl)oxycarbonyloxymethyl 2-methylprop-2-enoate
CID 59157329
cyclododecyl 2-methylprop-2-enoate;methane
CID 174824208
cyclohexyl 2-methylprop-2-enoate;methanol
CID 67315224
(4-ethylcyclohexyl) 2-methylprop-2-enoate
CID 22250722
carbonic acid;cyclohexyl 2-methylprop-2-enoate
CID 89120265

Frequently Asked Questions

What is the IUPAC name of [4-[2-[4-[bis(4-methylcyclohexyl)amino]cyclohexyl]ethenyl]cyclohexyl] 2-methylprop-2-enoate?
The IUPAC name of [4-[2-[4-[bis(4-methylcyclohexyl)amino]cyclohexyl]ethenyl]cyclohexyl] 2-methylprop-2-enoate (CID 140571106) is [4-[2-[4-[bis(4-methylcyclohexyl)amino]cyclohexyl]ethenyl]cyclohexyl] 2-methylprop-2-enoate.
What is the SMILES notation for [4-[2-[4-[bis(4-methylcyclohexyl)amino]cyclohexyl]ethenyl]cyclohexyl] 2-methylprop-2-enoate?
The canonical SMILES for [4-[2-[4-[bis(4-methylcyclohexyl)amino]cyclohexyl]ethenyl]cyclohexyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC1CCC(C=CC2CCC(N(C3CCC(C)CC3)C3CCC(C)CC3)CC2)CC1.
What is the InChIKey of [4-[2-[4-[bis(4-methylcyclohexyl)amino]cyclohexyl]ethenyl]cyclohexyl] 2-methylprop-2-enoate?
The InChIKey is AMRNLRXLEGJMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H53NO2/c1-23(2)32(34)35-31-21-13-27(14-22-31)10-9-26-11-19-30(20-12-26)33(28-15-5-24(3)6-16-28)29-17-7-25(4)8-18-29/h9-10,24-31H,1,5-8,11-22H2,2-4H3.
What are the key properties of [4-[2-[4-[bis(4-methylcyclohexyl)amino]cyclohexyl]ethenyl]cyclohexyl] 2-methylprop-2-enoate?
[4-[2-[4-[bis(4-methylcyclohexyl)amino]cyclohexyl]ethenyl]cyclohexyl] 2-methylprop-2-enoate has a molecular weight of 483.78 g/mol, XLogP of 8.24, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[4-[bis(4-methylcyclohexyl)amino]cyclohexyl]ethenyl]cyclohexyl] 2-methylprop-2-enoate is sourced from PubChem (CID 140571106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).