[3-(aminomethyl)cyclobutyl]-trifluoroboranuide

C5H10BF3N- — CID 55270326

IUPAC[3-(aminomethyl)cyclobutyl]-trifluoroboranuide
SMILESNCC1CC([B-](F)(F)F)C1
InChIInChI=1S/C5H10BF3N/c7-6(8,9)5-1-4(2-5)3-10/h4-5H,1-3,10H2/q-1
InChIKeyIIMFWNRIMDMWNE-UHFFFAOYSA-N
MW151.95 g/mol
LogP1.57
Rot. Bonds2

About [3-(aminomethyl)cyclobutyl]-trifluoroboranuide

[3-(aminomethyl)cyclobutyl]-trifluoroboranuide (PubChem CID 55270326) has the molecular formula C5H10BF3N- and a molecular weight of 151.95 g/mol. Its IUPAC name is [3-(aminomethyl)cyclobutyl]-trifluoroboranuide.

Molecular Properties

Compound Name[3-(aminomethyl)cyclobutyl]-trifluoroboranuide
PubChem CID55270326
Molecular FormulaC5H10BF3N-
Molecular Weight151.95 g/mol
Exact Mass152.09
IUPAC Name[3-(aminomethyl)cyclobutyl]-trifluoroboranuide
SMILESNCC1CC([B-](F)(F)F)C1
InChIInChI=1S/C5H10BF3N/c7-6(8,9)5-1-4(2-5)3-10/h4-5H,1-3,10H2/q-1
InChIKeyIIMFWNRIMDMWNE-UHFFFAOYSA-N
XLogP1.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.95
LogP ≤ 51.57
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

azane;3-bicyclo[3.1.0]hexanylmethanamine
CID 70417036
[3-(difluoromethyl)cyclobutyl]methanamine;hydrochloride
CID 138039885
[(1S,5R)-6-azabicyclo[3.1.1]heptan-3-yl]methanamine
CID 167732628
[(1R,5R)-3-bicyclo[3.2.1]octanyl]methanamine
CID 98469517
[(3R,5R)-3,5-dimethylcyclohexyl]methanamine
CID 124506919
3-(aminomethyl)cyclobutan-1-ol;hydrochloride
CID 71651055
[4-(aminomethyl)cyclohexyl]methanamine
CID 158172497
8-bicyclo[4.3.3]dodecanylmethanamine
CID 170362758
[(1S,3S)-3-(aminomethyl)cyclohexyl]methanamine
CID 6951512
(3,5-dimethoxycyclohexyl)methanamine
CID 123884100
[5-(aminomethyl)piperidin-1-ium-3-yl]methanamine
CID 143020230
(3,3-difluorocyclobutyl)methanamine
CID 45480376

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)cyclobutyl]-trifluoroboranuide?
The IUPAC name of [3-(aminomethyl)cyclobutyl]-trifluoroboranuide (CID 55270326) is [3-(aminomethyl)cyclobutyl]-trifluoroboranuide.
What is the SMILES notation for [3-(aminomethyl)cyclobutyl]-trifluoroboranuide?
The canonical SMILES for [3-(aminomethyl)cyclobutyl]-trifluoroboranuide is NCC1CC([B-](F)(F)F)C1.
What is the InChIKey of [3-(aminomethyl)cyclobutyl]-trifluoroboranuide?
The InChIKey is IIMFWNRIMDMWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10BF3N/c7-6(8,9)5-1-4(2-5)3-10/h4-5H,1-3,10H2/q-1.
What are the key properties of [3-(aminomethyl)cyclobutyl]-trifluoroboranuide?
[3-(aminomethyl)cyclobutyl]-trifluoroboranuide has a molecular weight of 151.95 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)cyclobutyl]-trifluoroboranuide is sourced from PubChem (CID 55270326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).