[3-(dimethylamino)propyl-ethylamino]methyl-trifluoroboranuide

C8H19BF3N2- — CID 102998214

IUPAC[3-(dimethylamino)propyl-ethylamino]methyl-trifluoroboranuide
SMILESCCN(CCCN(C)C)C[B-](F)(F)F
InChIInChI=1S/C8H19BF3N2/c1-4-14(8-9(10,11)12)7-5-6-13(2)3/h4-8H2,1-3H3/q-1
InChIKeyWVSNDLVILZUONG-UHFFFAOYSA-N
MW211.06 g/mol
LogP1.65
Rot. Bonds7

About [3-(dimethylamino)propyl-ethylamino]methyl-trifluoroboranuide

[3-(dimethylamino)propyl-ethylamino]methyl-trifluoroboranuide (PubChem CID 102998214) has the molecular formula C8H19BF3N2- and a molecular weight of 211.06 g/mol. Its IUPAC name is [3-(dimethylamino)propyl-ethylamino]methyl-trifluoroboranuide.

Molecular Properties

Compound Name[3-(dimethylamino)propyl-ethylamino]methyl-trifluoroboranuide
PubChem CID102998214
Molecular FormulaC8H19BF3N2-
Molecular Weight211.06 g/mol
Exact Mass211.16
IUPAC Name[3-(dimethylamino)propyl-ethylamino]methyl-trifluoroboranuide
SMILESCCN(CCCN(C)C)C[B-](F)(F)F
InChIInChI=1S/C8H19BF3N2/c1-4-14(8-9(10,11)12)7-5-6-13(2)3/h4-8H2,1-3H3/q-1
InChIKeyWVSNDLVILZUONG-UHFFFAOYSA-N
XLogP1.65
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.06
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-dibromopropane;N',N'-diethyl-N,N-dimethylpropane-1,3-diamine
CID 170854608
potassium [2-ethoxyethyl(ethyl)amino]methyl-trifluoroboranuide
CID 63691795
N,N-dimethyl-N',N'-dipropylpropane-1,3-diamine
CID 89150859
N'-[3-[di(propan-2-yl)amino]propyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 178016346
N'-[3-(dimethylamino)propyl]-N'-ethyl-N-methylhexane-1,6-diamine
CID 102997503
N'-ethyl-N,N-dimethyl-N'-[2-(propan-2-ylamino)ethyl]propane-1,3-diamine
CID 114525572
N',N'-diethyl-N,N-dimethylethane-1,2-diamine;ethane
CID 143296680
N'-[2-[bis[2-[bis[2-(dimethylamino)ethyl]amino]ethyl]amino]ethyl]-N'-[2-(dimethylamino)ethyl]-N,N-dimethylethane-1,2-diamine;N',N'-bis[2-(dimethylamino)ethyl]-N,N-dimethylethane-1,2-diamine;N,N,N',N'-tetrakis[2-(dimethylamino)ethyl]propane-1,3-diamine
CID 160549747
N'-[3-(dimethylamino)propyl]-N,N,N'-trimethylpropane-1,3-diamine;ethane
CID 171793143
N'-ethyl-N,N,N'-trimethylpropane-1,3-diamine;propane
CID 142350934
1-[3-(dimethylamino)propyl-ethylamino]pentan-2-one
CID 102995101
3-[3-(dimethylamino)propyl-ethylamino]-2-methylpropanenitrile
CID 115630903

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)propyl-ethylamino]methyl-trifluoroboranuide?
The IUPAC name of [3-(dimethylamino)propyl-ethylamino]methyl-trifluoroboranuide (CID 102998214) is [3-(dimethylamino)propyl-ethylamino]methyl-trifluoroboranuide.
What is the SMILES notation for [3-(dimethylamino)propyl-ethylamino]methyl-trifluoroboranuide?
The canonical SMILES for [3-(dimethylamino)propyl-ethylamino]methyl-trifluoroboranuide is CCN(CCCN(C)C)C[B-](F)(F)F.
What is the InChIKey of [3-(dimethylamino)propyl-ethylamino]methyl-trifluoroboranuide?
The InChIKey is WVSNDLVILZUONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19BF3N2/c1-4-14(8-9(10,11)12)7-5-6-13(2)3/h4-8H2,1-3H3/q-1.
What are the key properties of [3-(dimethylamino)propyl-ethylamino]methyl-trifluoroboranuide?
[3-(dimethylamino)propyl-ethylamino]methyl-trifluoroboranuide has a molecular weight of 211.06 g/mol, XLogP of 1.65, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)propyl-ethylamino]methyl-trifluoroboranuide is sourced from PubChem (CID 102998214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).