[4-[[formyl-[(2-methylpropan-2-yl)oxy]amino]methyl]cyclohexyl] formate

C13H23NO4 — CID 57227644

IUPAC[4-[[formyl-[(2-methylpropan-2-yl)oxy]amino]methyl]cyclohexyl] formate
SMILESCC(C)(C)ON(C=O)CC1CCC(OC=O)CC1
InChIInChI=1S/C13H23NO4/c1-13(2,3)18-14(9-15)8-11-4-6-12(7-5-11)17-10-16/h9-12H,4-8H2,1-3H3
InChIKeyQVOHENCMZLQGCR-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.91
Rot. Bonds6

About [4-[[formyl-[(2-methylpropan-2-yl)oxy]amino]methyl]cyclohexyl] formate

[4-[[formyl-[(2-methylpropan-2-yl)oxy]amino]methyl]cyclohexyl] formate (PubChem CID 57227644) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is [4-[[formyl-[(2-methylpropan-2-yl)oxy]amino]methyl]cyclohexyl] formate.

Molecular Properties

Compound Name[4-[[formyl-[(2-methylpropan-2-yl)oxy]amino]methyl]cyclohexyl] formate
PubChem CID57227644
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name[4-[[formyl-[(2-methylpropan-2-yl)oxy]amino]methyl]cyclohexyl] formate
SMILESCC(C)(C)ON(C=O)CC1CCC(OC=O)CC1
InChIInChI=1S/C13H23NO4/c1-13(2,3)18-14(9-15)8-11-4-6-12(7-5-11)17-10-16/h9-12H,4-8H2,1-3H3
InChIKeyQVOHENCMZLQGCR-UHFFFAOYSA-N
XLogP1.91
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[[formyl-[(2-methylpropan-2-yl)oxy]amino]methyl]cyclohexyl] formate?
The IUPAC name of [4-[[formyl-[(2-methylpropan-2-yl)oxy]amino]methyl]cyclohexyl] formate (CID 57227644) is [4-[[formyl-[(2-methylpropan-2-yl)oxy]amino]methyl]cyclohexyl] formate.
What is the SMILES notation for [4-[[formyl-[(2-methylpropan-2-yl)oxy]amino]methyl]cyclohexyl] formate?
The canonical SMILES for [4-[[formyl-[(2-methylpropan-2-yl)oxy]amino]methyl]cyclohexyl] formate is CC(C)(C)ON(C=O)CC1CCC(OC=O)CC1.
What is the InChIKey of [4-[[formyl-[(2-methylpropan-2-yl)oxy]amino]methyl]cyclohexyl] formate?
The InChIKey is QVOHENCMZLQGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-13(2,3)18-14(9-15)8-11-4-6-12(7-5-11)17-10-16/h9-12H,4-8H2,1-3H3.
What are the key properties of [4-[[formyl-[(2-methylpropan-2-yl)oxy]amino]methyl]cyclohexyl] formate?
[4-[[formyl-[(2-methylpropan-2-yl)oxy]amino]methyl]cyclohexyl] formate has a molecular weight of 257.33 g/mol, XLogP of 1.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[formyl-[(2-methylpropan-2-yl)oxy]amino]methyl]cyclohexyl] formate is sourced from PubChem (CID 57227644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).