trifluoro-[[methyl-(3-methylcyclohexyl)amino]methyl]boranuide

C9H18BF3N- — CID 63701764

IUPACtrifluoro-[[methyl-(3-methylcyclohexyl)amino]methyl]boranuide
SMILESCC1CCCC(N(C)C[B-](F)(F)F)C1
InChIInChI=1S/C9H18BF3N/c1-8-4-3-5-9(6-8)14(2)7-10(11,12)13/h8-9H,3-7H2,1-2H3/q-1
InChIKeyIKUAWYUOOVZHKT-UHFFFAOYSA-N
MW208.06 g/mol
LogP2.88
Rot. Bonds3

About trifluoro-[[methyl-(3-methylcyclohexyl)amino]methyl]boranuide

trifluoro-[[methyl-(3-methylcyclohexyl)amino]methyl]boranuide (PubChem CID 63701764) has the molecular formula C9H18BF3N- and a molecular weight of 208.06 g/mol. Its IUPAC name is trifluoro-[[methyl-(3-methylcyclohexyl)amino]methyl]boranuide.

Molecular Properties

Compound Nametrifluoro-[[methyl-(3-methylcyclohexyl)amino]methyl]boranuide
PubChem CID63701764
Molecular FormulaC9H18BF3N-
Molecular Weight208.06 g/mol
Exact Mass208.15
IUPAC Nametrifluoro-[[methyl-(3-methylcyclohexyl)amino]methyl]boranuide
SMILESCC1CCCC(N(C)C[B-](F)(F)F)C1
InChIInChI=1S/C9H18BF3N/c1-8-4-3-5-9(6-8)14(2)7-10(11,12)13/h8-9H,3-7H2,1-2H3/q-1
InChIKeyIKUAWYUOOVZHKT-UHFFFAOYSA-N
XLogP2.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.06
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

potassium trifluoro-[[methyl-(3-methylcyclohexyl)amino]methyl]boranuide
CID 63701763
[cyclopropyl(methyl)amino]methyl-trifluoroboranuide
CID 63704886
(3S)-N-ethyl-N,3-dimethylcycloheptan-1-amine
CID 171506165
N,N,N'-trimethyl-N'-[(1S,3R)-3-methylcyclohexyl]ethane-1,2-diamine
CID 7074573
cis-(1R,3S)-N,N,3-trimethylcyclohexan-1-amine
CID 142193437
trifluoro-[[methyl(piperidin-4-yl)amino]methyl]boranuide
CID 63705433
N',N'-diethyl-N-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine
CID 2846615
3-[methyl-(3-methylcyclohexyl)amino]propan-1-ol
CID 60969986
N'-methyl-N'-(3-methylcyclohexyl)but-2-ene-1,4-diamine
CID 77110311
N-cyclopropyl-N'-methyl-N'-(3-methylcyclohexyl)ethane-1,2-diamine
CID 61447072
N-(9-bromononyl)-N,3-dimethylcyclohexan-1-amine
CID 105343672
N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N,3-dimethylcyclohexan-1-amine
CID 79866338

Frequently Asked Questions

What is the IUPAC name of trifluoro-[[methyl-(3-methylcyclohexyl)amino]methyl]boranuide?
The IUPAC name of trifluoro-[[methyl-(3-methylcyclohexyl)amino]methyl]boranuide (CID 63701764) is trifluoro-[[methyl-(3-methylcyclohexyl)amino]methyl]boranuide.
What is the SMILES notation for trifluoro-[[methyl-(3-methylcyclohexyl)amino]methyl]boranuide?
The canonical SMILES for trifluoro-[[methyl-(3-methylcyclohexyl)amino]methyl]boranuide is CC1CCCC(N(C)C[B-](F)(F)F)C1.
What is the InChIKey of trifluoro-[[methyl-(3-methylcyclohexyl)amino]methyl]boranuide?
The InChIKey is IKUAWYUOOVZHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BF3N/c1-8-4-3-5-9(6-8)14(2)7-10(11,12)13/h8-9H,3-7H2,1-2H3/q-1.
What are the key properties of trifluoro-[[methyl-(3-methylcyclohexyl)amino]methyl]boranuide?
trifluoro-[[methyl-(3-methylcyclohexyl)amino]methyl]boranuide has a molecular weight of 208.06 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[[methyl-(3-methylcyclohexyl)amino]methyl]boranuide is sourced from PubChem (CID 63701764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).