potassium 3-[cyclopropyl(propyl)amino]prop-1-en-2-yl-trifluoroboranuide

C9H16BF3KN — CID 106745699

IUPACpotassium 3-[cyclopropyl(propyl)amino]prop-1-en-2-yl-trifluoroboranuide
SMILESC=C(CN(CCC)C1CC1)[B-](F)(F)F.[K+]
InChIInChI=1S/C9H16BF3N.K/c1-3-6-14(9-4-5-9)7-8(2)10(11,12)13;/h9H,2-7H2,1H3;/q-1;+1
InChIKeyONJGKMHDSVZIIA-UHFFFAOYSA-N
MW245.14 g/mol
LogP-0.19
Rot. Bonds6

About potassium 3-[cyclopropyl(propyl)amino]prop-1-en-2-yl-trifluoroboranuide

potassium 3-[cyclopropyl(propyl)amino]prop-1-en-2-yl-trifluoroboranuide (PubChem CID 106745699) has the molecular formula C9H16BF3KN and a molecular weight of 245.14 g/mol. Its IUPAC name is potassium 3-[cyclopropyl(propyl)amino]prop-1-en-2-yl-trifluoroboranuide.

Molecular Properties

Compound Namepotassium 3-[cyclopropyl(propyl)amino]prop-1-en-2-yl-trifluoroboranuide
PubChem CID106745699
Molecular FormulaC9H16BF3KN
Molecular Weight245.14 g/mol
Exact Mass245.10
IUPAC Namepotassium 3-[cyclopropyl(propyl)amino]prop-1-en-2-yl-trifluoroboranuide
SMILESC=C(CN(CCC)C1CC1)[B-](F)(F)F.[K+]
InChIInChI=1S/C9H16BF3N.K/c1-3-6-14(9-4-5-9)7-8(2)10(11,12)13;/h9H,2-7H2,1H3;/q-1;+1
InChIKeyONJGKMHDSVZIIA-UHFFFAOYSA-N
XLogP-0.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.14
LogP ≤ 5-0.19
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

2-[[cyclopropyl(propyl)amino]methyl]prop-2-ene-1-thiol
CID 103073276
2-[cyclopropyl(propyl)amino]-1-(2,6-difluorophenyl)ethanone
CID 43795478
2-[(4-aminocyclohexyl)-propylamino]acetamide
CID 79111803
4-[cyclopropylmethyl(propyl)amino]cyclohexan-1-ol
CID 114762423
4-N-(3-methylbut-3-enyl)-4-N-propylcyclohexane-1,4-diamine
CID 114473388
2-[cyclododecyl(propyl)amino]acetic acid
CID 65064979
N-(2-methylprop-2-enyl)-N-propylazetidin-3-amine
CID 66215524
1-[cyclopropyl(propyl)amino]propan-2-ol
CID 60886554
2-[cyclopropyl(propyl)amino]-1-(4-ethylphenyl)ethanone
CID 43795468
2-[cyclopropyl(propyl)amino]-1-(2,4,5-trimethylphenyl)ethanone
CID 43795545
3-[4-(dimethylamino)piperidin-1-yl]prop-1-en-2-yl-trifluoroboranuide
CID 106745730
N-(2-bromoprop-2-enyl)-N-propylazetidin-3-amine
CID 66214310

Frequently Asked Questions

What is the IUPAC name of potassium 3-[cyclopropyl(propyl)amino]prop-1-en-2-yl-trifluoroboranuide?
The IUPAC name of potassium 3-[cyclopropyl(propyl)amino]prop-1-en-2-yl-trifluoroboranuide (CID 106745699) is potassium 3-[cyclopropyl(propyl)amino]prop-1-en-2-yl-trifluoroboranuide.
What is the SMILES notation for potassium 3-[cyclopropyl(propyl)amino]prop-1-en-2-yl-trifluoroboranuide?
The canonical SMILES for potassium 3-[cyclopropyl(propyl)amino]prop-1-en-2-yl-trifluoroboranuide is C=C(CN(CCC)C1CC1)[B-](F)(F)F.[K+].
What is the InChIKey of potassium 3-[cyclopropyl(propyl)amino]prop-1-en-2-yl-trifluoroboranuide?
The InChIKey is ONJGKMHDSVZIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BF3N.K/c1-3-6-14(9-4-5-9)7-8(2)10(11,12)13;/h9H,2-7H2,1H3;/q-1;+1.
What are the key properties of potassium 3-[cyclopropyl(propyl)amino]prop-1-en-2-yl-trifluoroboranuide?
potassium 3-[cyclopropyl(propyl)amino]prop-1-en-2-yl-trifluoroboranuide has a molecular weight of 245.14 g/mol, XLogP of -0.19, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3-[cyclopropyl(propyl)amino]prop-1-en-2-yl-trifluoroboranuide is sourced from PubChem (CID 106745699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).