1-N,1-N'-diethyl-4-silylbutane-1,1-diamine

C8H22N2Si — CID 123160771

IUPAC1-N,1-N'-diethyl-4-silylbutane-1,1-diamine
SMILESCCNC(CCC[SiH3])NCC
InChIInChI=1S/C8H22N2Si/c1-3-9-8(10-4-2)6-5-7-11/h8-10H,3-7H2,1-2,11H3
InChIKeyPPPSEARWQWEIOY-UHFFFAOYSA-N
MW174.36 g/mol
LogP0.10
Rot. Bonds7

About 1-N,1-N'-diethyl-4-silylbutane-1,1-diamine

1-N,1-N'-diethyl-4-silylbutane-1,1-diamine (PubChem CID 123160771) has the molecular formula C8H22N2Si and a molecular weight of 174.36 g/mol. Its IUPAC name is 1-N,1-N'-diethyl-4-silylbutane-1,1-diamine.

Molecular Properties

Compound Name1-N,1-N'-diethyl-4-silylbutane-1,1-diamine
PubChem CID123160771
Molecular FormulaC8H22N2Si
Molecular Weight174.36 g/mol
Exact Mass174.16
IUPAC Name1-N,1-N'-diethyl-4-silylbutane-1,1-diamine
SMILESCCNC(CCC[SiH3])NCC
InChIInChI=1S/C8H22N2Si/c1-3-9-8(10-4-2)6-5-7-11/h8-10H,3-7H2,1-2,11H3
InChIKeyPPPSEARWQWEIOY-UHFFFAOYSA-N
XLogP0.10
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.36
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N'-diethyl-4-silylbutane-1,1-diamine?
The IUPAC name of 1-N,1-N'-diethyl-4-silylbutane-1,1-diamine (CID 123160771) is 1-N,1-N'-diethyl-4-silylbutane-1,1-diamine.
What is the SMILES notation for 1-N,1-N'-diethyl-4-silylbutane-1,1-diamine?
The canonical SMILES for 1-N,1-N'-diethyl-4-silylbutane-1,1-diamine is CCNC(CCC[SiH3])NCC.
What is the InChIKey of 1-N,1-N'-diethyl-4-silylbutane-1,1-diamine?
The InChIKey is PPPSEARWQWEIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H22N2Si/c1-3-9-8(10-4-2)6-5-7-11/h8-10H,3-7H2,1-2,11H3.
What are the key properties of 1-N,1-N'-diethyl-4-silylbutane-1,1-diamine?
1-N,1-N'-diethyl-4-silylbutane-1,1-diamine has a molecular weight of 174.36 g/mol, XLogP of 0.10, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N'-diethyl-4-silylbutane-1,1-diamine is sourced from PubChem (CID 123160771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).