1-[dimethoxy(propyl)silyl]oxybutane-1,1-diamine

C9H24N2O3Si — CID 88723815

IUPAC1-[dimethoxy(propyl)silyl]oxybutane-1,1-diamine
SMILESCCCC(N)(N)O[Si](CCC)(OC)OC
InChIInChI=1S/C9H24N2O3Si/c1-5-7-9(10,11)14-15(12-3,13-4)8-6-2/h5-8,10-11H2,1-4H3
InChIKeyNLSULWJSOBENBL-UHFFFAOYSA-N
MW236.39 g/mol
LogP1.02
Rot. Bonds8

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

1-[dimethoxy(propyl)silyl]oxybutane-1,1-diamine (PubChem CID 88723815) has the molecular formula C9H24N2O3Si and a molecular weight of 236.39 g/mol. Its IUPAC name is 1-[dimethoxy(propyl)silyl]oxybutane-1,1-diamine.

Molecular Properties

Compound Name1-[dimethoxy(propyl)silyl]oxybutane-1,1-diamine
PubChem CID88723815
Molecular FormulaC9H24N2O3Si
Molecular Weight236.39 g/mol
Exact Mass236.16
IUPAC Name1-[dimethoxy(propyl)silyl]oxybutane-1,1-diamine
SMILESCCCC(N)(N)O[Si](CCC)(OC)OC
InChIInChI=1S/C9H24N2O3Si/c1-5-7-9(10,11)14-15(12-3,13-4)8-6-2/h5-8,10-11H2,1-4H3
InChIKeyNLSULWJSOBENBL-UHFFFAOYSA-N
XLogP1.02
TPSA79.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.39
LogP ≤ 51.02
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]oxypropane-1,1-diamine;2-methylprop-2-enoic acid
CID 160747062
azane;bis(trimethoxy(propyl)silane)
CID 87892957
azane;sulfane;bis(trimethoxy(propyl)silane)
CID 173220006
4-propyl-1,7-bis(trimethoxysilyl)heptan-4-amine
CID 87669047
methoxy(trimethyl)silane;trimethoxy(propyl)silane
CID 87861927
1-[dimethoxy(propyl)silyl]oxy-2,2-dimethylpropan-1-amine
CID 87698834
propan-2-imine;trimethoxy(propyl)silane
CID 174526925
propan-1-ol;trimethoxy(propyl)silane
CID 87515332
3-methyl-1-trimethoxysilylheptadecan-3-amine;hydrochloride
CID 173162005
3-ethyl-1-trimethoxysilylpentan-3-amine
CID 21018739
oxirane;trimethoxy(propyl)silane
CID 87981276
dimethoxy-(2-methylpentan-2-yl)-propylsilane
CID 54243586

Frequently Asked Questions

What is the IUPAC name of 1-[dimethoxy(propyl)silyl]oxybutane-1,1-diamine?
The IUPAC name of 1-[dimethoxy(propyl)silyl]oxybutane-1,1-diamine (CID 88723815) is 1-[dimethoxy(propyl)silyl]oxybutane-1,1-diamine.
What is the SMILES notation for 1-[dimethoxy(propyl)silyl]oxybutane-1,1-diamine?
The canonical SMILES for 1-[dimethoxy(propyl)silyl]oxybutane-1,1-diamine is CCCC(N)(N)O[Si](CCC)(OC)OC.
What is the InChIKey of 1-[dimethoxy(propyl)silyl]oxybutane-1,1-diamine?
The InChIKey is NLSULWJSOBENBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H24N2O3Si/c1-5-7-9(10,11)14-15(12-3,13-4)8-6-2/h5-8,10-11H2,1-4H3.
What are the key properties of 1-[dimethoxy(propyl)silyl]oxybutane-1,1-diamine?
1-[dimethoxy(propyl)silyl]oxybutane-1,1-diamine has a molecular weight of 236.39 g/mol, XLogP of 1.02, 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]oxybutane-1,1-diamine is sourced from PubChem (CID 88723815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).