2-[(1,1,2-trimethoxysilinan-2-yl)methyl]butane-1,4-diamine

C13H30N2O3Si — CID 174281592

IUPAC2-[(1,1,2-trimethoxysilinan-2-yl)methyl]butane-1,4-diamine
SMILESCOC1(CC(CN)CCN)CCCC[Si]1(OC)OC
InChIInChI=1S/C13H30N2O3Si/c1-16-13(10-12(11-15)6-8-14)7-4-5-9-19(13,17-2)18-3/h12H,4-11,14-15H2,1-3H3
InChIKeyZRVNQIJNXZYVRN-UHFFFAOYSA-N
MW290.48 g/mol
LogP1.14
Rot. Bonds8

About 2-[(1,1,2-trimethoxysilinan-2-yl)methyl]butane-1,4-diamine

2-[(1,1,2-trimethoxysilinan-2-yl)methyl]butane-1,4-diamine (PubChem CID 174281592) has the molecular formula C13H30N2O3Si and a molecular weight of 290.48 g/mol. Its IUPAC name is 2-[(1,1,2-trimethoxysilinan-2-yl)methyl]butane-1,4-diamine.

Molecular Properties

Compound Name2-[(1,1,2-trimethoxysilinan-2-yl)methyl]butane-1,4-diamine
PubChem CID174281592
Molecular FormulaC13H30N2O3Si
Molecular Weight290.48 g/mol
Exact Mass290.20
IUPAC Name2-[(1,1,2-trimethoxysilinan-2-yl)methyl]butane-1,4-diamine
SMILESCOC1(CC(CN)CCN)CCCC[Si]1(OC)OC
InChIInChI=1S/C13H30N2O3Si/c1-16-13(10-12(11-15)6-8-14)7-4-5-9-19(13,17-2)18-3/h12H,4-11,14-15H2,1-3H3
InChIKeyZRVNQIJNXZYVRN-UHFFFAOYSA-N
XLogP1.14
TPSA79.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 2-[(1,1,2-trimethoxysilinan-2-yl)methyl]butane-1,4-diamine?
The IUPAC name of 2-[(1,1,2-trimethoxysilinan-2-yl)methyl]butane-1,4-diamine (CID 174281592) is 2-[(1,1,2-trimethoxysilinan-2-yl)methyl]butane-1,4-diamine.
What is the SMILES notation for 2-[(1,1,2-trimethoxysilinan-2-yl)methyl]butane-1,4-diamine?
The canonical SMILES for 2-[(1,1,2-trimethoxysilinan-2-yl)methyl]butane-1,4-diamine is COC1(CC(CN)CCN)CCCC[Si]1(OC)OC.
What is the InChIKey of 2-[(1,1,2-trimethoxysilinan-2-yl)methyl]butane-1,4-diamine?
The InChIKey is ZRVNQIJNXZYVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O3Si/c1-16-13(10-12(11-15)6-8-14)7-4-5-9-19(13,17-2)18-3/h12H,4-11,14-15H2,1-3H3.
What are the key properties of 2-[(1,1,2-trimethoxysilinan-2-yl)methyl]butane-1,4-diamine?
2-[(1,1,2-trimethoxysilinan-2-yl)methyl]butane-1,4-diamine has a molecular weight of 290.48 g/mol, XLogP of 1.14, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1,2-trimethoxysilinan-2-yl)methyl]butane-1,4-diamine is sourced from PubChem (CID 174281592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).