[1-[bis(dimethylamino)methylamino]-2,2-dimethylpropylidene]-dimethylazanium perchlorate

C12H29ClN4O4 — CID 135052265

IUPAC[1-[bis(dimethylamino)methylamino]-2,2-dimethylpropylidene]-dimethylazanium perchlorate
SMILESCN(C)C(NC(=[N+](C)C)C(C)(C)C)N(C)C.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C12H28N4.ClHO4/c1-12(2,3)10(14(4)5)13-11(15(6)7)16(8)9;2-1(3,4)5/h11H,1-9H3;(H,2,3,4,5)
InChIKeyCGXYWIJAELONFF-UHFFFAOYSA-N
MW328.84 g/mol
LogP-4.06
Rot. Bonds3

About [1-[bis(dimethylamino)methylamino]-2,2-dimethylpropylidene]-dimethylazanium perchlorate

[1-[bis(dimethylamino)methylamino]-2,2-dimethylpropylidene]-dimethylazanium perchlorate (PubChem CID 135052265) has the molecular formula C12H29ClN4O4 and a molecular weight of 328.84 g/mol. Its IUPAC name is [1-[bis(dimethylamino)methylamino]-2,2-dimethylpropylidene]-dimethylazanium perchlorate.

Molecular Properties

Compound Name[1-[bis(dimethylamino)methylamino]-2,2-dimethylpropylidene]-dimethylazanium perchlorate
PubChem CID135052265
Molecular FormulaC12H29ClN4O4
Molecular Weight328.84 g/mol
Exact Mass328.19
IUPAC Name[1-[bis(dimethylamino)methylamino]-2,2-dimethylpropylidene]-dimethylazanium perchlorate
SMILESCN(C)C(NC(=[N+](C)C)C(C)(C)C)N(C)C.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C12H28N4.ClHO4/c1-12(2,3)10(14(4)5)13-11(15(6)7)16(8)9;2-1(3,4)5/h11H,1-9H3;(H,2,3,4,5)
InChIKeyCGXYWIJAELONFF-UHFFFAOYSA-N
XLogP-4.06
TPSA113.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 5-4.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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

[[bis(dimethylamino)methylamino]-(dimethylamino)methylidene]-dimethylazanium perchlorate
CID 135052279
N,N',N',N",N"-pentamethylmethanetriamine
CID 118529087
copper;N,N,N',N'-tetratert-butylethane-1,2-diamine;diperchlorate
CID 173220625
2,2-dimethyl-N-[2,2,2-trichloro-1-(dimethylamino)ethyl]propanamide
CID 3091311
N',N',N",N"-tetramethyl-N-(2-methyl-2-silylpropyl)methanetriamine
CID 173059239
3-[[2-(dimethylamino)-4-methylpentyl]amino]-2,2-dimethylpropan-1-ol
CID 81414349
dimethylaminophosphanium perchlorate
CID 158506862
[dimethylamino(methyl)azaniumylidene]boranuide
CID 157441390
3-[2-(dimethylamino)propylamino]-2,2-dimethylpropan-1-ol
CID 81411342
[1-(dimethylamino)-2,2-dimethylpropyl]urea
CID 88507082
[1-[1-(dimethylamino)-2,2-dimethylpropylidene]phosphanyl-2,2-dimethylpropylidene]-dimethylazanium chloride
CID 134891357
N-[1-(dimethylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 60730592

Frequently Asked Questions

What is the IUPAC name of [1-[bis(dimethylamino)methylamino]-2,2-dimethylpropylidene]-dimethylazanium perchlorate?
The IUPAC name of [1-[bis(dimethylamino)methylamino]-2,2-dimethylpropylidene]-dimethylazanium perchlorate (CID 135052265) is [1-[bis(dimethylamino)methylamino]-2,2-dimethylpropylidene]-dimethylazanium perchlorate.
What is the SMILES notation for [1-[bis(dimethylamino)methylamino]-2,2-dimethylpropylidene]-dimethylazanium perchlorate?
The canonical SMILES for [1-[bis(dimethylamino)methylamino]-2,2-dimethylpropylidene]-dimethylazanium perchlorate is CN(C)C(NC(=[N+](C)C)C(C)(C)C)N(C)C.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of [1-[bis(dimethylamino)methylamino]-2,2-dimethylpropylidene]-dimethylazanium perchlorate?
The InChIKey is CGXYWIJAELONFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N4.ClHO4/c1-12(2,3)10(14(4)5)13-11(15(6)7)16(8)9;2-1(3,4)5/h11H,1-9H3;(H,2,3,4,5).
What are the key properties of [1-[bis(dimethylamino)methylamino]-2,2-dimethylpropylidene]-dimethylazanium perchlorate?
[1-[bis(dimethylamino)methylamino]-2,2-dimethylpropylidene]-dimethylazanium perchlorate has a molecular weight of 328.84 g/mol, XLogP of -4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[bis(dimethylamino)methylamino]-2,2-dimethylpropylidene]-dimethylazanium perchlorate is sourced from PubChem (CID 135052265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).