[2-(cyclohexylamino)-2-methylpropyl] 2-methylprop-2-enoate

C14H25NO2 — CID 139637207

IUPAC[2-(cyclohexylamino)-2-methylpropyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(C)(C)NC1CCCCC1
InChIInChI=1S/C14H25NO2/c1-11(2)13(16)17-10-14(3,4)15-12-8-6-5-7-9-12/h12,15H,1,5-10H2,2-4H3
InChIKeyXDYOATJXGUQMQO-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.81
Rot. Bonds5

About [2-(cyclohexylamino)-2-methylpropyl] 2-methylprop-2-enoate

[2-(cyclohexylamino)-2-methylpropyl] 2-methylprop-2-enoate (PubChem CID 139637207) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is [2-(cyclohexylamino)-2-methylpropyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-(cyclohexylamino)-2-methylpropyl] 2-methylprop-2-enoate
PubChem CID139637207
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name[2-(cyclohexylamino)-2-methylpropyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(C)(C)NC1CCCCC1
InChIInChI=1S/C14H25NO2/c1-11(2)13(16)17-10-14(3,4)15-12-8-6-5-7-9-12/h12,15H,1,5-10H2,2-4H3
InChIKeyXDYOATJXGUQMQO-UHFFFAOYSA-N
XLogP2.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-cyclohexyl-2-ethylbutyl) 2-methylprop-2-enoate
CID 144855879
(2,2-dicyclopentyl-2-hydroxyethyl) 2-methylprop-2-enoate
CID 57100902
N-(1-methoxy-2-methylpropan-2-yl)cycloheptanamine
CID 115906089
3-(cycloheptylamino)-3-methylbutanoic acid
CID 82933537
[2-(2-methylprop-2-enoyloxymethyl)cyclohexyl]methyl 2-methylprop-2-enoate
CID 18956888
N-cyclododecyl-2-methylprop-2-enamide
CID 66733963
2-cycloheptylpropan-2-yl 2-methylprop-2-enoate
CID 139975270
2-cyclohexyloxyethyl 2-methylprop-2-enoate
CID 14692693
5-cycloheptylpentyl 2-methylprop-2-enoate
CID 164546531
[2-methyl-2-(1,1,2,2,2-pentafluoroethylsulfonylamino)propyl] 2-methylprop-2-enoate
CID 87415315
2,2,2-trihydroxyethyl 2-methylprop-2-enoate
CID 87642108
1,1-dicyclohexylethyl 2-methylprop-2-enoate
CID 22090694

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylamino)-2-methylpropyl] 2-methylprop-2-enoate?
The IUPAC name of [2-(cyclohexylamino)-2-methylpropyl] 2-methylprop-2-enoate (CID 139637207) is [2-(cyclohexylamino)-2-methylpropyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-(cyclohexylamino)-2-methylpropyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-(cyclohexylamino)-2-methylpropyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(C)(C)NC1CCCCC1.
What is the InChIKey of [2-(cyclohexylamino)-2-methylpropyl] 2-methylprop-2-enoate?
The InChIKey is XDYOATJXGUQMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-11(2)13(16)17-10-14(3,4)15-12-8-6-5-7-9-12/h12,15H,1,5-10H2,2-4H3.
What are the key properties of [2-(cyclohexylamino)-2-methylpropyl] 2-methylprop-2-enoate?
[2-(cyclohexylamino)-2-methylpropyl] 2-methylprop-2-enoate has a molecular weight of 239.36 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylamino)-2-methylpropyl] 2-methylprop-2-enoate is sourced from PubChem (CID 139637207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).