N-methyl-N-[phenyl(propylperoxy)boranyl]oxymethanamine

C11H18BNO3 — CID 87964229

IUPACN-methyl-N-[phenyl(propylperoxy)boranyl]oxymethanamine
SMILESCCCOOB(ON(C)C)c1ccccc1
InChIInChI=1S/C11H18BNO3/c1-4-10-14-16-12(15-13(2)3)11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3
InChIKeySHBVGXMKFZSXJX-UHFFFAOYSA-N
MW223.08 g/mol
LogP1.23
Rot. Bonds7

About N-methyl-N-[phenyl(propylperoxy)boranyl]oxymethanamine

N-methyl-N-[phenyl(propylperoxy)boranyl]oxymethanamine (PubChem CID 87964229) has the molecular formula C11H18BNO3 and a molecular weight of 223.08 g/mol. Its IUPAC name is N-methyl-N-[phenyl(propylperoxy)boranyl]oxymethanamine.

Molecular Properties

Compound NameN-methyl-N-[phenyl(propylperoxy)boranyl]oxymethanamine
PubChem CID87964229
Molecular FormulaC11H18BNO3
Molecular Weight223.08 g/mol
Exact Mass223.14
IUPAC NameN-methyl-N-[phenyl(propylperoxy)boranyl]oxymethanamine
SMILESCCCOOB(ON(C)C)c1ccccc1
InChIInChI=1S/C11H18BNO3/c1-4-10-14-16-12(15-13(2)3)11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3
InChIKeySHBVGXMKFZSXJX-UHFFFAOYSA-N
XLogP1.23
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.08
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

propylperoxybenzene
CID 87444466
1-propylperoxy-4-[2-(4-propylperoxyphenyl)propan-2-yl]benzene
CID 57321811
anisole;butane;2,2-dimethylpropanal
CID 142135610
CID 161224902
CID 161224902
azane;propoxybenzene
CID 66667480
N-methyl-N-propoxyaniline
CID 14117102
propoxybenzene;sulfur dioxide
CID 174403655
tetrabutyl-[phenyl-(tetrabutyl-λ5-phosphanyl)oxyboranyl]oxy-λ5-phosphane
CID 141003797
ethoxybenzene;propoxybenzene
CID 67747691
2,2,4,4-tetraphenoxy-6,6-dipropoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene
CID 139877889
N-[bis(ethylamino)boranyl]ethanamine;N-diphenylboranyl-N-methylmethanamine
CID 67739731
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethylbenzene
CID 153014245

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[phenyl(propylperoxy)boranyl]oxymethanamine?
The IUPAC name of N-methyl-N-[phenyl(propylperoxy)boranyl]oxymethanamine (CID 87964229) is N-methyl-N-[phenyl(propylperoxy)boranyl]oxymethanamine.
What is the SMILES notation for N-methyl-N-[phenyl(propylperoxy)boranyl]oxymethanamine?
The canonical SMILES for N-methyl-N-[phenyl(propylperoxy)boranyl]oxymethanamine is CCCOOB(ON(C)C)c1ccccc1.
What is the InChIKey of N-methyl-N-[phenyl(propylperoxy)boranyl]oxymethanamine?
The InChIKey is SHBVGXMKFZSXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BNO3/c1-4-10-14-16-12(15-13(2)3)11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3.
What are the key properties of N-methyl-N-[phenyl(propylperoxy)boranyl]oxymethanamine?
N-methyl-N-[phenyl(propylperoxy)boranyl]oxymethanamine has a molecular weight of 223.08 g/mol, XLogP of 1.23, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[phenyl(propylperoxy)boranyl]oxymethanamine is sourced from PubChem (CID 87964229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).