1-N'-(1-dimethoxysilylbutan-2-yl)ethane-1,1-diamine

C8H22N2O2Si — CID 172999631

IUPAC1-N'-(1-dimethoxysilylbutan-2-yl)ethane-1,1-diamine
SMILESCCC(C[SiH](OC)OC)NC(C)N
InChIInChI=1S/C8H22N2O2Si/c1-5-8(10-7(2)9)6-13(11-3)12-4/h7-8,10,13H,5-6,9H2,1-4H3
InChIKeySMJNAUKYECGIKX-UHFFFAOYSA-N
MW206.36 g/mol
LogP0.17
Rot. Bonds7

About 1-N'-(1-dimethoxysilylbutan-2-yl)ethane-1,1-diamine

1-N'-(1-dimethoxysilylbutan-2-yl)ethane-1,1-diamine (PubChem CID 172999631) has the molecular formula C8H22N2O2Si and a molecular weight of 206.36 g/mol. Its IUPAC name is 1-N'-(1-dimethoxysilylbutan-2-yl)ethane-1,1-diamine.

Molecular Properties

Compound Name1-N'-(1-dimethoxysilylbutan-2-yl)ethane-1,1-diamine
PubChem CID172999631
Molecular FormulaC8H22N2O2Si
Molecular Weight206.36 g/mol
Exact Mass206.15
IUPAC Name1-N'-(1-dimethoxysilylbutan-2-yl)ethane-1,1-diamine
SMILESCCC(C[SiH](OC)OC)NC(C)N
InChIInChI=1S/C8H22N2O2Si/c1-5-8(10-7(2)9)6-13(11-3)12-4/h7-8,10,13H,5-6,9H2,1-4H3
InChIKeySMJNAUKYECGIKX-UHFFFAOYSA-N
XLogP0.17
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.36
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-dimethoxysilylbutan-2-yl)ethane-1,1-diamine?
The IUPAC name of 1-N'-(1-dimethoxysilylbutan-2-yl)ethane-1,1-diamine (CID 172999631) is 1-N'-(1-dimethoxysilylbutan-2-yl)ethane-1,1-diamine.
What is the SMILES notation for 1-N'-(1-dimethoxysilylbutan-2-yl)ethane-1,1-diamine?
The canonical SMILES for 1-N'-(1-dimethoxysilylbutan-2-yl)ethane-1,1-diamine is CCC(C[SiH](OC)OC)NC(C)N.
What is the InChIKey of 1-N'-(1-dimethoxysilylbutan-2-yl)ethane-1,1-diamine?
The InChIKey is SMJNAUKYECGIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H22N2O2Si/c1-5-8(10-7(2)9)6-13(11-3)12-4/h7-8,10,13H,5-6,9H2,1-4H3.
What are the key properties of 1-N'-(1-dimethoxysilylbutan-2-yl)ethane-1,1-diamine?
1-N'-(1-dimethoxysilylbutan-2-yl)ethane-1,1-diamine has a molecular weight of 206.36 g/mol, XLogP of 0.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(1-dimethoxysilylbutan-2-yl)ethane-1,1-diamine is sourced from PubChem (CID 172999631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).