1-tert-butyl-4,4-diethyl-1,4-azasilinane

C12H27NSi — CID 176797678

IUPAC1-tert-butyl-4,4-diethyl-1,4-azasilinane
SMILESCC[Si]1(CC)CCN(C(C)(C)C)CC1
InChIInChI=1S/C12H27NSi/c1-6-14(7-2)10-8-13(9-11-14)12(3,4)5/h6-11H2,1-5H3
InChIKeyCANQSTUIELWQDQ-UHFFFAOYSA-N
MW213.44 g/mol
LogP3.59
Rot. Bonds2

About 1-tert-butyl-4,4-diethyl-1,4-azasilinane

1-tert-butyl-4,4-diethyl-1,4-azasilinane (PubChem CID 176797678) has the molecular formula C12H27NSi and a molecular weight of 213.44 g/mol. Its IUPAC name is 1-tert-butyl-4,4-diethyl-1,4-azasilinane.

Molecular Properties

Compound Name1-tert-butyl-4,4-diethyl-1,4-azasilinane
PubChem CID176797678
Molecular FormulaC12H27NSi
Molecular Weight213.44 g/mol
Exact Mass213.19
IUPAC Name1-tert-butyl-4,4-diethyl-1,4-azasilinane
SMILESCC[Si]1(CC)CCN(C(C)(C)C)CC1
InChIInChI=1S/C12H27NSi/c1-6-14(7-2)10-8-13(9-11-14)12(3,4)5/h6-11H2,1-5H3
InChIKeyCANQSTUIELWQDQ-UHFFFAOYSA-N
XLogP3.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.44
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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1-tert-butylazepane;1-tert-butylpiperidine
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1-tert-butyl-4,4-diphenyl-1,4-azasilinane
CID 12930317
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CID 171581155
1-tert-butyl-4-(2,2-dimethylpropyl)piperidin-4-ol
CID 58993905
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CID 90326333
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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4,4-diethyl-1,4-azasilinane?
The IUPAC name of 1-tert-butyl-4,4-diethyl-1,4-azasilinane (CID 176797678) is 1-tert-butyl-4,4-diethyl-1,4-azasilinane.
What is the SMILES notation for 1-tert-butyl-4,4-diethyl-1,4-azasilinane?
The canonical SMILES for 1-tert-butyl-4,4-diethyl-1,4-azasilinane is CC[Si]1(CC)CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4,4-diethyl-1,4-azasilinane?
The InChIKey is CANQSTUIELWQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NSi/c1-6-14(7-2)10-8-13(9-11-14)12(3,4)5/h6-11H2,1-5H3.
What are the key properties of 1-tert-butyl-4,4-diethyl-1,4-azasilinane?
1-tert-butyl-4,4-diethyl-1,4-azasilinane has a molecular weight of 213.44 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4,4-diethyl-1,4-azasilinane is sourced from PubChem (CID 176797678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).