4,4-dimethyl-1,4-azasilepane

C7H17NSi — CID 54576757

IUPAC4,4-dimethyl-1,4-azasilepane
SMILESC[Si]1(C)CCCNCC1
InChIInChI=1S/C7H17NSi/c1-9(2)6-3-4-8-5-7-9/h8H,3-7H2,1-2H3
InChIKeyKWEOZTVWBFWMKC-UHFFFAOYSA-N
MW143.31 g/mol
LogP1.69
Rot. Bonds

About 4,4-dimethyl-1,4-azasilepane

4,4-dimethyl-1,4-azasilepane (PubChem CID 54576757) has the molecular formula C7H17NSi and a molecular weight of 143.31 g/mol. Its IUPAC name is 4,4-dimethyl-1,4-azasilepane.

Molecular Properties

Compound Name4,4-dimethyl-1,4-azasilepane
PubChem CID54576757
Molecular FormulaC7H17NSi
Molecular Weight143.31 g/mol
Exact Mass143.11
IUPAC Name4,4-dimethyl-1,4-azasilepane
SMILESC[Si]1(C)CCCNCC1
InChIInChI=1S/C7H17NSi/c1-9(2)6-3-4-8-5-7-9/h8H,3-7H2,1-2H3
InChIKeyKWEOZTVWBFWMKC-UHFFFAOYSA-N
XLogP1.69
TPSA12.03 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 ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,4-Dimethyl-1,4-azasilepane;hydrochloride
CID 56590439
3,3-Dimethyl-1,3-azasilepane hydrochloride
CID 145913702
N-(2-trimethylsilylethyl)propan-1-amine
CID 11040984
N-ethyl-N-(3-ethylsilylpropyl)amine
CID 129816662
N-ethyl-N-(3-tri-ethylsilylpropyl)ammonium chloride
CID 129816741
4,4-Dimethyl-1,4-azasilepan-1-ium chloride
CID 139116583
3,3-Dimethyl-1,3-azasilepane
CID 145913703
N-propyl-4-(trimethylsilyl)butan-1-amine
CID 642556
N-(3-trimethylsilylpropyl)butan-1-amine
CID 12863825
N-Ethyl-3-(triethylsilyl)propan-1-amine
CID 13310984
azane;N-ethyl-1-trimethylsilylpropan-1-amine
CID 19985670
N-ethyl-1-trimethylsilylpropan-1-amine
CID 19985671

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1,4-azasilepane?
The IUPAC name of 4,4-dimethyl-1,4-azasilepane (CID 54576757) is 4,4-dimethyl-1,4-azasilepane.
What is the SMILES notation for 4,4-dimethyl-1,4-azasilepane?
The canonical SMILES for 4,4-dimethyl-1,4-azasilepane is C[Si]1(C)CCCNCC1.
What is the InChIKey of 4,4-dimethyl-1,4-azasilepane?
The InChIKey is KWEOZTVWBFWMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NSi/c1-9(2)6-3-4-8-5-7-9/h8H,3-7H2,1-2H3.
What are the key properties of 4,4-dimethyl-1,4-azasilepane?
4,4-dimethyl-1,4-azasilepane has a molecular weight of 143.31 g/mol, XLogP of 1.69, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1,4-azasilepane is sourced from PubChem (CID 54576757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).