potassium 3-[ethyl(naphthalen-1-yl)amino]prop-1-en-2-yl-trifluoroboranuide

C15H16BF3KN — CID 106745593

IUPACpotassium 3-[ethyl(naphthalen-1-yl)amino]prop-1-en-2-yl-trifluoroboranuide
SMILESC=C(CN(CC)c1cccc2ccccc12)[B-](F)(F)F.[K+]
InChIInChI=1S/C15H16BF3N.K/c1-3-20(11-12(2)16(17,18)19)15-10-6-8-13-7-4-5-9-14(13)15;/h4-10H,2-3,11H2,1H3;/q-1;+1
InChIKeyMMMYTAUBZQFGKW-UHFFFAOYSA-N
MW317.20 g/mol
LogP1.61
Rot. Bonds5

About potassium 3-[ethyl(naphthalen-1-yl)amino]prop-1-en-2-yl-trifluoroboranuide

potassium 3-[ethyl(naphthalen-1-yl)amino]prop-1-en-2-yl-trifluoroboranuide (PubChem CID 106745593) has the molecular formula C15H16BF3KN and a molecular weight of 317.20 g/mol. Its IUPAC name is potassium 3-[ethyl(naphthalen-1-yl)amino]prop-1-en-2-yl-trifluoroboranuide.

Molecular Properties

Compound Namepotassium 3-[ethyl(naphthalen-1-yl)amino]prop-1-en-2-yl-trifluoroboranuide
PubChem CID106745593
Molecular FormulaC15H16BF3KN
Molecular Weight317.20 g/mol
Exact Mass317.10
IUPAC Namepotassium 3-[ethyl(naphthalen-1-yl)amino]prop-1-en-2-yl-trifluoroboranuide
SMILESC=C(CN(CC)c1cccc2ccccc12)[B-](F)(F)F.[K+]
InChIInChI=1S/C15H16BF3N.K/c1-3-20(11-12(2)16(17,18)19)15-10-6-8-13-7-4-5-9-14(13)15;/h4-10H,2-3,11H2,1H3;/q-1;+1
InChIKeyMMMYTAUBZQFGKW-UHFFFAOYSA-N
XLogP1.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.20
LogP ≤ 51.61
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

(2S)-1-[ethyl(naphthalen-1-yl)amino]propan-2-ol
CID 103934919
N,N,N'-triethyl-N'-naphthalen-1-ylethane-1,2-diamine
CID 3028375
1-N-ethyl-1-N-naphthalen-1-ylbutane-1,2-diamine
CID 43649715
3-[ethyl(naphthalen-1-yl)amino]-2,2-dimethylpropan-1-ol
CID 62271078
2-methyl-3-[2-methylprop-2-enyl(naphthalen-1-yl)amino]propanoic acid
CID 82319684
1-N-ethyl-4-methyl-1-N-naphthalen-1-ylpentane-1,2-diamine
CID 43095261
N-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethylnaphthalen-1-amine
CID 62424402
1-[ethyl(naphthalen-1-yl)amino]-3-(methylamino)propan-2-ol
CID 43187919
N-[[1-(aminomethyl)cyclopentyl]methyl]-N-ethylnaphthalen-1-amine
CID 63484497
6-[ethyl(naphthalen-1-yl)amino]hexan-3-one
CID 106801134
N-(3-bromo-2-methylpropyl)-N-ethylnaphthalen-1-amine
CID 64996339
5-[3-[ethyl(naphthalen-1-yl)amino]propyl]-2-fluorobenzoic acid
CID 67532479

Frequently Asked Questions

What is the IUPAC name of potassium 3-[ethyl(naphthalen-1-yl)amino]prop-1-en-2-yl-trifluoroboranuide?
The IUPAC name of potassium 3-[ethyl(naphthalen-1-yl)amino]prop-1-en-2-yl-trifluoroboranuide (CID 106745593) is potassium 3-[ethyl(naphthalen-1-yl)amino]prop-1-en-2-yl-trifluoroboranuide.
What is the SMILES notation for potassium 3-[ethyl(naphthalen-1-yl)amino]prop-1-en-2-yl-trifluoroboranuide?
The canonical SMILES for potassium 3-[ethyl(naphthalen-1-yl)amino]prop-1-en-2-yl-trifluoroboranuide is C=C(CN(CC)c1cccc2ccccc12)[B-](F)(F)F.[K+].
What is the InChIKey of potassium 3-[ethyl(naphthalen-1-yl)amino]prop-1-en-2-yl-trifluoroboranuide?
The InChIKey is MMMYTAUBZQFGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BF3N.K/c1-3-20(11-12(2)16(17,18)19)15-10-6-8-13-7-4-5-9-14(13)15;/h4-10H,2-3,11H2,1H3;/q-1;+1.
What are the key properties of potassium 3-[ethyl(naphthalen-1-yl)amino]prop-1-en-2-yl-trifluoroboranuide?
potassium 3-[ethyl(naphthalen-1-yl)amino]prop-1-en-2-yl-trifluoroboranuide has a molecular weight of 317.20 g/mol, XLogP of 1.61, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3-[ethyl(naphthalen-1-yl)amino]prop-1-en-2-yl-trifluoroboranuide is sourced from PubChem (CID 106745593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).