1,1-dimethylsilinan-4-amine

C7H17NSi — CID 54576543

IUPAC1,1-dimethylsilinan-4-amine
SMILESC[Si]1(C)CCC(N)CC1
InChIInChI=1S/C7H17NSi/c1-9(2)5-3-7(8)4-6-9/h7H,3-6,8H2,1-2H3
InChIKeyOPPJOCUHPBXAEA-UHFFFAOYSA-N
MW143.31 g/mol
LogP1.82
Rot. Bonds

About 1,1-dimethylsilinan-4-amine

1,1-dimethylsilinan-4-amine (PubChem CID 54576543) has the molecular formula C7H17NSi and a molecular weight of 143.31 g/mol. Its IUPAC name is 1,1-dimethylsilinan-4-amine.

Molecular Properties

Compound Name1,1-dimethylsilinan-4-amine
PubChem CID54576543
Molecular FormulaC7H17NSi
Molecular Weight143.31 g/mol
Exact Mass143.11
IUPAC Name1,1-dimethylsilinan-4-amine
SMILESC[Si]1(C)CCC(N)CC1
InChIInChI=1S/C7H17NSi/c1-9(2)5-3-7(8)4-6-9/h7H,3-6,8H2,1-2H3
InChIKeyOPPJOCUHPBXAEA-UHFFFAOYSA-N
XLogP1.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.31
LogP ≤ 51.82
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?
The IUPAC name of 1,1-dimethylsilinan-4-amine (CID 54576543) is 1,1-dimethylsilinan-4-amine.
What is the SMILES notation for 1,1-dimethylsilinan-4-amine?
The canonical SMILES for 1,1-dimethylsilinan-4-amine is C[Si]1(C)CCC(N)CC1.
What is the InChIKey of 1,1-dimethylsilinan-4-amine?
The InChIKey is OPPJOCUHPBXAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NSi/c1-9(2)5-3-7(8)4-6-9/h7H,3-6,8H2,1-2H3.
What are the key properties of 1,1-dimethylsilinan-4-amine?
1,1-dimethylsilinan-4-amine has a molecular weight of 143.31 g/mol, XLogP of 1.82, 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 is sourced from PubChem (CID 54576543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).