[1-[(oxoboranylmethylamino)methyl]cyclobutyl]methanol

C7H14BNO2 — CID 20714152

IUPAC[1-[(oxoboranylmethylamino)methyl]cyclobutyl]methanol
SMILESO=BCNCC1(CO)CCC1
InChIInChI=1S/C7H14BNO2/c10-5-7(2-1-3-7)4-9-6-8-11/h9-10H,1-6H2
InChIKeyMFEPFNSTWVHNMF-UHFFFAOYSA-N
MW155.01 g/mol
LogP-0.25
Rot. Bonds5

About [1-[(oxoboranylmethylamino)methyl]cyclobutyl]methanol

[1-[(oxoboranylmethylamino)methyl]cyclobutyl]methanol (PubChem CID 20714152) has the molecular formula C7H14BNO2 and a molecular weight of 155.01 g/mol. Its IUPAC name is [1-[(oxoboranylmethylamino)methyl]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[(oxoboranylmethylamino)methyl]cyclobutyl]methanol
PubChem CID20714152
Molecular FormulaC7H14BNO2
Molecular Weight155.01 g/mol
Exact Mass155.11
IUPAC Name[1-[(oxoboranylmethylamino)methyl]cyclobutyl]methanol
SMILESO=BCNCC1(CO)CCC1
InChIInChI=1S/C7H14BNO2/c10-5-7(2-1-3-7)4-9-6-8-11/h9-10H,1-6H2
InChIKeyMFEPFNSTWVHNMF-UHFFFAOYSA-N
XLogP-0.25
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.01
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[[1-(hydroxymethyl)cyclohexyl]methylamino]pentanoic acid
CID 103263075
[1-(hydroxymethyl)cyclopentyl]methylcarbamic acid
CID 66597374
methyl 2-[[1-(hydroxymethyl)cyclopentyl]methylamino]acetate
CID 115359540
1-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]cycloheptan-1-ol
CID 115359618
methyl 2-[[1-(hydroxymethyl)cyclohexyl]methylamino]acetate
CID 81411374
[1-[(hexylamino)methyl]cyclopentyl]methanol
CID 115358683
[1-[(3-ethylsulfonylpropylamino)methyl]cyclohexyl]methanol
CID 103966488
4-[[1-(hydroxymethyl)cyclopentyl]methylamino]butanenitrile
CID 115359670
methyl N-[[1-(hydroxymethyl)cyclohexyl]methyl]carbamate
CID 110292599
[1-[(3-methylsulfanylpropylamino)methyl]cyclohexyl]methanol
CID 81418639
4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-N,N-dimethylbutanamide
CID 113359635
1-[[1-(hydroxymethyl)cyclohexyl]methylamino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106990396

Frequently Asked Questions

What is the IUPAC name of [1-[(oxoboranylmethylamino)methyl]cyclobutyl]methanol?
The IUPAC name of [1-[(oxoboranylmethylamino)methyl]cyclobutyl]methanol (CID 20714152) is [1-[(oxoboranylmethylamino)methyl]cyclobutyl]methanol.
What is the SMILES notation for [1-[(oxoboranylmethylamino)methyl]cyclobutyl]methanol?
The canonical SMILES for [1-[(oxoboranylmethylamino)methyl]cyclobutyl]methanol is O=BCNCC1(CO)CCC1.
What is the InChIKey of [1-[(oxoboranylmethylamino)methyl]cyclobutyl]methanol?
The InChIKey is MFEPFNSTWVHNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BNO2/c10-5-7(2-1-3-7)4-9-6-8-11/h9-10H,1-6H2.
What are the key properties of [1-[(oxoboranylmethylamino)methyl]cyclobutyl]methanol?
[1-[(oxoboranylmethylamino)methyl]cyclobutyl]methanol has a molecular weight of 155.01 g/mol, XLogP of -0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(oxoboranylmethylamino)methyl]cyclobutyl]methanol is sourced from PubChem (CID 20714152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).