4,6-dimethyl-1,3-dipentyl-2H-1,3,2-diazasilin-1-ium

C15H31N2Si+ — CID 123975647

IUPAC4,6-dimethyl-1,3-dipentyl-2H-1,3,2-diazasilin-1-ium
SMILESCCCCCN1[SiH2][N+](CCCCC)=C(C)C=C1C
InChIInChI=1S/C15H31N2Si/c1-5-7-9-11-16-14(3)13-15(4)17(18-16)12-10-8-6-2/h13H,5-12,18H2,1-4H3/q+1
InChIKeyCDIHRFYFIDMOSR-UHFFFAOYSA-N
MW267.51 g/mol
LogP3.06
Rot. Bonds8

About 4,6-dimethyl-1,3-dipentyl-2H-1,3,2-diazasilin-1-ium

4,6-dimethyl-1,3-dipentyl-2H-1,3,2-diazasilin-1-ium (PubChem CID 123975647) has the molecular formula C15H31N2Si+ and a molecular weight of 267.51 g/mol. Its IUPAC name is 4,6-dimethyl-1,3-dipentyl-2H-1,3,2-diazasilin-1-ium.

Molecular Properties

Compound Name4,6-dimethyl-1,3-dipentyl-2H-1,3,2-diazasilin-1-ium
PubChem CID123975647
Molecular FormulaC15H31N2Si+
Molecular Weight267.51 g/mol
Exact Mass267.23
IUPAC Name4,6-dimethyl-1,3-dipentyl-2H-1,3,2-diazasilin-1-ium
SMILESCCCCCN1[SiH2][N+](CCCCC)=C(C)C=C1C
InChIInChI=1S/C15H31N2Si/c1-5-7-9-11-16-14(3)13-15(4)17(18-16)12-10-8-6-2/h13H,5-12,18H2,1-4H3/q+1
InChIKeyCDIHRFYFIDMOSR-UHFFFAOYSA-N
XLogP3.06
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.51
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Methyl-2-propyl-1,5,6,7-tetrahydropyrrolo[1,2-c][1,3,2]diazasilin-8-ium
CID 123142844
CID 123973310
CID 123973310
(Z)-N-diethylgallanyl-N-propyl-4-propyliminopent-2-en-2-amine
CID 166498028
(Z)-N-diethylindiganyl-N-propyl-4-propyliminopent-2-en-2-amine
CID 166498068
(Z)-N-dimethylindiganyl-N-propyl-4-propyliminopent-2-en-2-amine
CID 166498091
(Z)-N-dimethylgallanyl-N-propyl-4-propyliminopent-2-en-2-amine
CID 166498124
1-butyl-6-methyl-4-[(1Z,3Z)-penta-1,3-dienyl]-2H-1,3,2-diazasiline
CID 173585195
2-(4,6-dimethyl-3-propyl-2H-1,3,2-diazasilin-3-ium-1-yl)-N,N-dimethylethanamine
CID 174086468
CID 137061478
CID 137061478
CID 137157485
CID 137157485
CID 140676839
CID 140676839
CID 140676853
CID 140676853

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1,3-dipentyl-2H-1,3,2-diazasilin-1-ium?
The IUPAC name of 4,6-dimethyl-1,3-dipentyl-2H-1,3,2-diazasilin-1-ium (CID 123975647) is 4,6-dimethyl-1,3-dipentyl-2H-1,3,2-diazasilin-1-ium.
What is the SMILES notation for 4,6-dimethyl-1,3-dipentyl-2H-1,3,2-diazasilin-1-ium?
The canonical SMILES for 4,6-dimethyl-1,3-dipentyl-2H-1,3,2-diazasilin-1-ium is CCCCCN1[SiH2][N+](CCCCC)=C(C)C=C1C.
What is the InChIKey of 4,6-dimethyl-1,3-dipentyl-2H-1,3,2-diazasilin-1-ium?
The InChIKey is CDIHRFYFIDMOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N2Si/c1-5-7-9-11-16-14(3)13-15(4)17(18-16)12-10-8-6-2/h13H,5-12,18H2,1-4H3/q+1.
What are the key properties of 4,6-dimethyl-1,3-dipentyl-2H-1,3,2-diazasilin-1-ium?
4,6-dimethyl-1,3-dipentyl-2H-1,3,2-diazasilin-1-ium has a molecular weight of 267.51 g/mol, XLogP of 3.06, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1,3-dipentyl-2H-1,3,2-diazasilin-1-ium is sourced from PubChem (CID 123975647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).