[3-(cyclohexylamino)-2-methyl-3-oxopropyl]-trifluoroboranuide

C10H18BF3NO- — CID 54589865

IUPAC[3-(cyclohexylamino)-2-methyl-3-oxopropyl]-trifluoroboranuide
SMILESCC(C[B-](F)(F)F)C(=O)NC1CCCCC1
InChIInChI=1S/C10H18BF3NO/c1-8(7-11(12,13)14)10(16)15-9-5-3-2-4-6-9/h8-9H,2-7H2,1H3,(H,15,16)/q-1
InChIKeyNCXGDXMODWUILX-UHFFFAOYSA-N
MW236.07 g/mol
LogP2.92
Rot. Bonds4

About [3-(cyclohexylamino)-2-methyl-3-oxopropyl]-trifluoroboranuide

[3-(cyclohexylamino)-2-methyl-3-oxopropyl]-trifluoroboranuide (PubChem CID 54589865) has the molecular formula C10H18BF3NO- and a molecular weight of 236.07 g/mol. Its IUPAC name is [3-(cyclohexylamino)-2-methyl-3-oxopropyl]-trifluoroboranuide.

Molecular Properties

Compound Name[3-(cyclohexylamino)-2-methyl-3-oxopropyl]-trifluoroboranuide
PubChem CID54589865
Molecular FormulaC10H18BF3NO-
Molecular Weight236.07 g/mol
Exact Mass236.14
IUPAC Name[3-(cyclohexylamino)-2-methyl-3-oxopropyl]-trifluoroboranuide
SMILESCC(C[B-](F)(F)F)C(=O)NC1CCCCC1
InChIInChI=1S/C10H18BF3NO/c1-8(7-11(12,13)14)10(16)15-9-5-3-2-4-6-9/h8-9H,2-7H2,1H3,(H,15,16)/q-1
InChIKeyNCXGDXMODWUILX-UHFFFAOYSA-N
XLogP2.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.07
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-2-methyl-3-(methylamino)propanamide
CID 79195893
N-cyclopentyl-2-methylbutanamide;methane
CID 159941857
N-cycloheptyl-2-methylpentanamide
CID 4532030
N-cycloheptyl-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119674669
(2R)-N-cyclobutyl-2-methylbutanamide
CID 129182523
N-cyclohexyl-2-silylpropanamide
CID 123581134
(2S)-N-cyclohexyl-4-methyl-2-(methylamino)pentanamide
CID 163408456
2-(cyclohexylamino)-N-cyclopentylpropanamide
CID 43083335
N-cyclohexyl-2-(cyclooctylamino)propanamide
CID 43083622
2-(cycloheptylamino)-N-cyclohexylpropanamide
CID 43236394
N,N'-di(cycloheptyl)-2,3-dihydroxybutanediamide
CID 141089668
N-cyclobutyl-3-(ethylamino)-2-methylpropanamide
CID 62839829

Frequently Asked Questions

What is the IUPAC name of [3-(cyclohexylamino)-2-methyl-3-oxopropyl]-trifluoroboranuide?
The IUPAC name of [3-(cyclohexylamino)-2-methyl-3-oxopropyl]-trifluoroboranuide (CID 54589865) is [3-(cyclohexylamino)-2-methyl-3-oxopropyl]-trifluoroboranuide.
What is the SMILES notation for [3-(cyclohexylamino)-2-methyl-3-oxopropyl]-trifluoroboranuide?
The canonical SMILES for [3-(cyclohexylamino)-2-methyl-3-oxopropyl]-trifluoroboranuide is CC(C[B-](F)(F)F)C(=O)NC1CCCCC1.
What is the InChIKey of [3-(cyclohexylamino)-2-methyl-3-oxopropyl]-trifluoroboranuide?
The InChIKey is NCXGDXMODWUILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BF3NO/c1-8(7-11(12,13)14)10(16)15-9-5-3-2-4-6-9/h8-9H,2-7H2,1H3,(H,15,16)/q-1.
What are the key properties of [3-(cyclohexylamino)-2-methyl-3-oxopropyl]-trifluoroboranuide?
[3-(cyclohexylamino)-2-methyl-3-oxopropyl]-trifluoroboranuide has a molecular weight of 236.07 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclohexylamino)-2-methyl-3-oxopropyl]-trifluoroboranuide is sourced from PubChem (CID 54589865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).