1-[dimethoxy(propyl)silyl]oxypropane-1,3-diamine

C8H22N2O3Si — CID 87996086

IUPAC1-[dimethoxy(propyl)silyl]oxypropane-1,3-diamine
SMILESCCC[Si](OC)(OC)OC(N)CCN
InChIInChI=1S/C8H22N2O3Si/c1-4-7-14(11-2,12-3)13-8(10)5-6-9/h8H,4-7,9-10H2,1-3H3
InChIKeyFJJPJOSMXHUPOK-UHFFFAOYSA-N
MW222.36 g/mol
LogP0.28
Rot. Bonds8

About 1-[dimethoxy(propyl)silyl]oxypropane-1,3-diamine

1-[dimethoxy(propyl)silyl]oxypropane-1,3-diamine (PubChem CID 87996086) has the molecular formula C8H22N2O3Si and a molecular weight of 222.36 g/mol. Its IUPAC name is 1-[dimethoxy(propyl)silyl]oxypropane-1,3-diamine.

Molecular Properties

Compound Name1-[dimethoxy(propyl)silyl]oxypropane-1,3-diamine
PubChem CID87996086
Molecular FormulaC8H22N2O3Si
Molecular Weight222.36 g/mol
Exact Mass222.14
IUPAC Name1-[dimethoxy(propyl)silyl]oxypropane-1,3-diamine
SMILESCCC[Si](OC)(OC)OC(N)CCN
InChIInChI=1S/C8H22N2O3Si/c1-4-7-14(11-2,12-3)13-8(10)5-6-9/h8H,4-7,9-10H2,1-3H3
InChIKeyFJJPJOSMXHUPOK-UHFFFAOYSA-N
XLogP0.28
TPSA79.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Related Compounds

1-[dimethoxy(propyl)silyl]oxy-2,2-dimethylpropan-1-amine
CID 87698834
azane;bis(trimethoxy(propyl)silane)
CID 87892957
hexane-1,1-diamine;trimethoxy(propyl)silane
CID 175401211
azane;sulfane;bis(trimethoxy(propyl)silane)
CID 173220006
3-methyl-6-trimethoxysilylhexane-1,4-diamine
CID 175289204
1-(ethoxy-methoxy-propylsilyl)oxyethanamine
CID 87663977
methoxy(trimethyl)silane;trimethoxy(propyl)silane
CID 87861927
isocyanic acid;trimethoxy(propyl)silane
CID 87261466
1,8-bis(trimethoxysilyl)octane-4,5-diamine
CID 57029504
hexane;3-trimethoxysilylpropane-1,1-diamine
CID 174757276
1,5-bis(trimethoxysilyl)pentan-3-amine
CID 87668176
propan-2-imine;trimethoxy(propyl)silane
CID 174526925

Frequently Asked Questions

What is the IUPAC name of 1-[dimethoxy(propyl)silyl]oxypropane-1,3-diamine?
The IUPAC name of 1-[dimethoxy(propyl)silyl]oxypropane-1,3-diamine (CID 87996086) is 1-[dimethoxy(propyl)silyl]oxypropane-1,3-diamine.
What is the SMILES notation for 1-[dimethoxy(propyl)silyl]oxypropane-1,3-diamine?
The canonical SMILES for 1-[dimethoxy(propyl)silyl]oxypropane-1,3-diamine is CCC[Si](OC)(OC)OC(N)CCN.
What is the InChIKey of 1-[dimethoxy(propyl)silyl]oxypropane-1,3-diamine?
The InChIKey is FJJPJOSMXHUPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H22N2O3Si/c1-4-7-14(11-2,12-3)13-8(10)5-6-9/h8H,4-7,9-10H2,1-3H3.
What are the key properties of 1-[dimethoxy(propyl)silyl]oxypropane-1,3-diamine?
1-[dimethoxy(propyl)silyl]oxypropane-1,3-diamine has a molecular weight of 222.36 g/mol, XLogP of 0.28, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[dimethoxy(propyl)silyl]oxypropane-1,3-diamine is sourced from PubChem (CID 87996086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).