1,1-dimethyl-3-propyl-1,3,2-diazasilinan-1-ium

C8H21N2Si+ — CID 123568303

IUPAC1,1-dimethyl-3-propyl-1,3,2-diazasilinan-1-ium
SMILESCCCN1CCC[N+](C)(C)[SiH2]1
InChIInChI=1S/C8H21N2Si/c1-4-6-9-7-5-8-10(2,3)11-9/h4-8,11H2,1-3H3/q+1
InChIKeyQSJBBQXVBYRGLS-UHFFFAOYSA-N
MW173.36 g/mol
LogP0.18
Rot. Bonds2

About 1,1-dimethyl-3-propyl-1,3,2-diazasilinan-1-ium

1,1-dimethyl-3-propyl-1,3,2-diazasilinan-1-ium (PubChem CID 123568303) has the molecular formula C8H21N2Si+ and a molecular weight of 173.36 g/mol. Its IUPAC name is 1,1-dimethyl-3-propyl-1,3,2-diazasilinan-1-ium.

Molecular Properties

Compound Name1,1-dimethyl-3-propyl-1,3,2-diazasilinan-1-ium
PubChem CID123568303
Molecular FormulaC8H21N2Si+
Molecular Weight173.36 g/mol
Exact Mass173.15
IUPAC Name1,1-dimethyl-3-propyl-1,3,2-diazasilinan-1-ium
SMILESCCCN1CCC[N+](C)(C)[SiH2]1
InChIInChI=1S/C8H21N2Si/c1-4-6-9-7-5-8-10(2,3)11-9/h4-8,11H2,1-3H3/q+1
InChIKeyQSJBBQXVBYRGLS-UHFFFAOYSA-N
XLogP0.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.36
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1,1-dimethyl-3-propyl-1,3,2-diazasilinan-1-ium?
The IUPAC name of 1,1-dimethyl-3-propyl-1,3,2-diazasilinan-1-ium (CID 123568303) is 1,1-dimethyl-3-propyl-1,3,2-diazasilinan-1-ium.
What is the SMILES notation for 1,1-dimethyl-3-propyl-1,3,2-diazasilinan-1-ium?
The canonical SMILES for 1,1-dimethyl-3-propyl-1,3,2-diazasilinan-1-ium is CCCN1CCC[N+](C)(C)[SiH2]1.
What is the InChIKey of 1,1-dimethyl-3-propyl-1,3,2-diazasilinan-1-ium?
The InChIKey is QSJBBQXVBYRGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N2Si/c1-4-6-9-7-5-8-10(2,3)11-9/h4-8,11H2,1-3H3/q+1.
What are the key properties of 1,1-dimethyl-3-propyl-1,3,2-diazasilinan-1-ium?
1,1-dimethyl-3-propyl-1,3,2-diazasilinan-1-ium has a molecular weight of 173.36 g/mol, XLogP of 0.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-propyl-1,3,2-diazasilinan-1-ium is sourced from PubChem (CID 123568303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).