[di(propan-2-yl)amino]methylidene-di(propan-2-yl)azanium tetrafluoroborate

C13H29BF4N2 — CID 11077431

IUPAC[di(propan-2-yl)amino]methylidene-di(propan-2-yl)azanium tetrafluoroborate
SMILESCC(C)N(C=[N+](C(C)C)C(C)C)C(C)C.F[B-](F)(F)F
InChIInChI=1S/C13H29N2.BF4/c1-10(2)14(11(3)4)9-15(12(5)6)13(7)8;2-1(3,4)5/h9-13H,1-8H3;/q+1;-1
InChIKeyPEKVUVXZBLFOHV-UHFFFAOYSA-N
MW300.19 g/mol
LogP4.26
Rot. Bonds5

About [di(propan-2-yl)amino]methylidene-di(propan-2-yl)azanium tetrafluoroborate

[di(propan-2-yl)amino]methylidene-di(propan-2-yl)azanium tetrafluoroborate (PubChem CID 11077431) has the molecular formula C13H29BF4N2 and a molecular weight of 300.19 g/mol. Its IUPAC name is [di(propan-2-yl)amino]methylidene-di(propan-2-yl)azanium tetrafluoroborate.

Molecular Properties

Compound Name[di(propan-2-yl)amino]methylidene-di(propan-2-yl)azanium tetrafluoroborate
PubChem CID11077431
Molecular FormulaC13H29BF4N2
Molecular Weight300.19 g/mol
Exact Mass300.24
IUPAC Name[di(propan-2-yl)amino]methylidene-di(propan-2-yl)azanium tetrafluoroborate
SMILESCC(C)N(C=[N+](C(C)C)C(C)C)C(C)C.F[B-](F)(F)F
InChIInChI=1S/C13H29N2.BF4/c1-10(2)14(11(3)4)9-15(12(5)6)13(7)8;2-1(3,4)5/h9-13H,1-8H3;/q+1;-1
InChIKeyPEKVUVXZBLFOHV-UHFFFAOYSA-N
XLogP4.26
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.19
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

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CID 499189
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CID 11032101
N,N,N'-tri(propan-2-yl)methanimidamide
CID 12175794
1,3-di(propan-2-yl)-5,6-dihydro-4H-pyrimidin-1-ium tetrafluoroborate
CID 87686628
[Di(propan-2-yl)amino]methylidene-di(propan-2-yl)azanium
CID 11057444
N'-methyl-N,N-di(propan-2-yl)methanimidamide
CID 58319979
N-ethyl-N,N'-di(propan-2-yl)methanimidamide
CID 132219026
ethane;N'-methyl-N,N-di(propan-2-yl)methanimidamide
CID 144348723
[Di(propan-2-yl)amino]methylidene-di(propan-2-yl)azanium;trifluoroborane;fluoride
CID 160426055
[Di(propan-2-yl)amino]methylidene-dimethylazanium hexafluorophosphate
CID 10859603
[Di(propan-2-yl)amino]methylidene-dimethylazanium
CID 10859604

Frequently Asked Questions

What is the IUPAC name of [di(propan-2-yl)amino]methylidene-di(propan-2-yl)azanium tetrafluoroborate?
The IUPAC name of [di(propan-2-yl)amino]methylidene-di(propan-2-yl)azanium tetrafluoroborate (CID 11077431) is [di(propan-2-yl)amino]methylidene-di(propan-2-yl)azanium tetrafluoroborate.
What is the SMILES notation for [di(propan-2-yl)amino]methylidene-di(propan-2-yl)azanium tetrafluoroborate?
The canonical SMILES for [di(propan-2-yl)amino]methylidene-di(propan-2-yl)azanium tetrafluoroborate is CC(C)N(C=[N+](C(C)C)C(C)C)C(C)C.F[B-](F)(F)F.
What is the InChIKey of [di(propan-2-yl)amino]methylidene-di(propan-2-yl)azanium tetrafluoroborate?
The InChIKey is PEKVUVXZBLFOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N2.BF4/c1-10(2)14(11(3)4)9-15(12(5)6)13(7)8;2-1(3,4)5/h9-13H,1-8H3;/q+1;-1.
What are the key properties of [di(propan-2-yl)amino]methylidene-di(propan-2-yl)azanium tetrafluoroborate?
[di(propan-2-yl)amino]methylidene-di(propan-2-yl)azanium tetrafluoroborate has a molecular weight of 300.19 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [di(propan-2-yl)amino]methylidene-di(propan-2-yl)azanium tetrafluoroborate is sourced from PubChem (CID 11077431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).