2-(4,6-dimethyl-3-propyl-2H-1,3,2-diazasilin-3-ium-1-yl)-N,N-dimethylethanamine

C12H26N3Si+ — CID 174086468

IUPAC2-(4,6-dimethyl-3-propyl-2H-1,3,2-diazasilin-3-ium-1-yl)-N,N-dimethylethanamine
SMILESCCC[N+]1=C(C)C=C(C)N(CCN(C)C)[SiH2]1
InChIInChI=1S/C12H26N3Si/c1-6-7-14-11(2)10-12(3)15(16-14)9-8-13(4)5/h10H,6-9,16H2,1-5H3/q+1
InChIKeyOMCLLDSXVCBHKM-UHFFFAOYSA-N
MW240.45 g/mol
LogP0.65
Rot. Bonds5

About 2-(4,6-dimethyl-3-propyl-2H-1,3,2-diazasilin-3-ium-1-yl)-N,N-dimethylethanamine

2-(4,6-dimethyl-3-propyl-2H-1,3,2-diazasilin-3-ium-1-yl)-N,N-dimethylethanamine (PubChem CID 174086468) has the molecular formula C12H26N3Si+ and a molecular weight of 240.45 g/mol. Its IUPAC name is 2-(4,6-dimethyl-3-propyl-2H-1,3,2-diazasilin-3-ium-1-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(4,6-dimethyl-3-propyl-2H-1,3,2-diazasilin-3-ium-1-yl)-N,N-dimethylethanamine
PubChem CID174086468
Molecular FormulaC12H26N3Si+
Molecular Weight240.45 g/mol
Exact Mass240.19
IUPAC Name2-(4,6-dimethyl-3-propyl-2H-1,3,2-diazasilin-3-ium-1-yl)-N,N-dimethylethanamine
SMILESCCC[N+]1=C(C)C=C(C)N(CCN(C)C)[SiH2]1
InChIInChI=1S/C12H26N3Si/c1-6-7-14-11(2)10-12(3)15(16-14)9-8-13(4)5/h10H,6-9,16H2,1-5H3/q+1
InChIKeyOMCLLDSXVCBHKM-UHFFFAOYSA-N
XLogP0.65
TPSA9.49 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.45
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-3-propyl-2H-1,3,2-diazasilin-3-ium-1-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(4,6-dimethyl-3-propyl-2H-1,3,2-diazasilin-3-ium-1-yl)-N,N-dimethylethanamine (CID 174086468) is 2-(4,6-dimethyl-3-propyl-2H-1,3,2-diazasilin-3-ium-1-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(4,6-dimethyl-3-propyl-2H-1,3,2-diazasilin-3-ium-1-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(4,6-dimethyl-3-propyl-2H-1,3,2-diazasilin-3-ium-1-yl)-N,N-dimethylethanamine is CCC[N+]1=C(C)C=C(C)N(CCN(C)C)[SiH2]1.
What is the InChIKey of 2-(4,6-dimethyl-3-propyl-2H-1,3,2-diazasilin-3-ium-1-yl)-N,N-dimethylethanamine?
The InChIKey is OMCLLDSXVCBHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N3Si/c1-6-7-14-11(2)10-12(3)15(16-14)9-8-13(4)5/h10H,6-9,16H2,1-5H3/q+1.
What are the key properties of 2-(4,6-dimethyl-3-propyl-2H-1,3,2-diazasilin-3-ium-1-yl)-N,N-dimethylethanamine?
2-(4,6-dimethyl-3-propyl-2H-1,3,2-diazasilin-3-ium-1-yl)-N,N-dimethylethanamine has a molecular weight of 240.45 g/mol, XLogP of 0.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-3-propyl-2H-1,3,2-diazasilin-3-ium-1-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 174086468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).