1,1-dimethylsilinan-4-amine chloride

C7H17ClNSi- — CID 54576542

IUPAC1,1-dimethylsilinan-4-amine chloride
SMILESC[Si]1(C)CCC(N)CC1.[Cl-]
InChIInChI=1S/C7H17NSi.ClH/c1-9(2)5-3-7(8)4-6-9;/h7H,3-6,8H2,1-2H3;1H/p-1
InChIKeyCKXDEORVRZVCBR-UHFFFAOYSA-M
MW178.76 g/mol
LogP-1.18
Rot. Bonds

About 1,1-dimethylsilinan-4-amine chloride

1,1-dimethylsilinan-4-amine chloride (PubChem CID 54576542) has the molecular formula C7H17ClNSi- and a molecular weight of 178.76 g/mol. Its IUPAC name is 1,1-dimethylsilinan-4-amine chloride.

Molecular Properties

Compound Name1,1-dimethylsilinan-4-amine chloride
PubChem CID54576542
Molecular FormulaC7H17ClNSi-
Molecular Weight178.76 g/mol
Exact Mass178.08
IUPAC Name1,1-dimethylsilinan-4-amine chloride
SMILESC[Si]1(C)CCC(N)CC1.[Cl-]
InChIInChI=1S/C7H17NSi.ClH/c1-9(2)5-3-7(8)4-6-9;/h7H,3-6,8H2,1-2H3;1H/p-1
InChIKeyCKXDEORVRZVCBR-UHFFFAOYSA-M
XLogP-1.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.76
LogP ≤ 5-1.18
H-Bond Donors ≤ 51
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-dimethylsilinan-4-amine chloride?
The IUPAC name of 1,1-dimethylsilinan-4-amine chloride (CID 54576542) is 1,1-dimethylsilinan-4-amine chloride.
What is the SMILES notation for 1,1-dimethylsilinan-4-amine chloride?
The canonical SMILES for 1,1-dimethylsilinan-4-amine chloride is C[Si]1(C)CCC(N)CC1.[Cl-].
What is the InChIKey of 1,1-dimethylsilinan-4-amine chloride?
The InChIKey is CKXDEORVRZVCBR-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H17NSi.ClH/c1-9(2)5-3-7(8)4-6-9;/h7H,3-6,8H2,1-2H3;1H/p-1.
What are the key properties of 1,1-dimethylsilinan-4-amine chloride?
1,1-dimethylsilinan-4-amine chloride has a molecular weight of 178.76 g/mol, XLogP of -1.18, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethylsilinan-4-amine chloride is sourced from PubChem (CID 54576542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).