3-[heptoxy(dimethoxy)silyl]propane-1,1-diamine

C12H30N2O3Si — CID 163213327

IUPAC3-[heptoxy(dimethoxy)silyl]propane-1,1-diamine
SMILESCCCCCCCO[Si](CCC(N)N)(OC)OC
InChIInChI=1S/C12H30N2O3Si/c1-4-5-6-7-8-10-17-18(15-2,16-3)11-9-12(13)14/h12H,4-11,13-14H2,1-3H3
InChIKeyIRFPJUHYKGXAHW-UHFFFAOYSA-N
MW278.47 g/mol
LogP1.84
Rot. Bonds12

About 3-[heptoxy(dimethoxy)silyl]propane-1,1-diamine

3-[heptoxy(dimethoxy)silyl]propane-1,1-diamine (PubChem CID 163213327) has the molecular formula C12H30N2O3Si and a molecular weight of 278.47 g/mol. Its IUPAC name is 3-[heptoxy(dimethoxy)silyl]propane-1,1-diamine.

Molecular Properties

Compound Name3-[heptoxy(dimethoxy)silyl]propane-1,1-diamine
PubChem CID163213327
Molecular FormulaC12H30N2O3Si
Molecular Weight278.47 g/mol
Exact Mass278.20
IUPAC Name3-[heptoxy(dimethoxy)silyl]propane-1,1-diamine
SMILESCCCCCCCO[Si](CCC(N)N)(OC)OC
InChIInChI=1S/C12H30N2O3Si/c1-4-5-6-7-8-10-17-18(15-2,16-3)11-9-12(13)14/h12H,4-11,13-14H2,1-3H3
InChIKeyIRFPJUHYKGXAHW-UHFFFAOYSA-N
XLogP1.84
TPSA79.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.47
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

hexane;3-trimethoxysilylpropane-1,1-diamine
CID 174757276
3-[dimethoxy(undecyl)silyl]oxypropan-1-amine
CID 156751574
hexane-1,1-diamine;trimethoxy(propyl)silane
CID 175401211
butoxy-butyl-dimethoxysilane
CID 139714527
4-tridodecoxysilylbutane-2-thiol
CID 22227191
3-trihexadecoxysilylpropan-1-amine
CID 87405617
sulfane;bis(trioctoxy(propyl)silane)
CID 23217623
ethyl-methoxy-dipentoxysilane;ethylsilane
CID 157076319
6-tripentoxysilylhexan-1-amine
CID 152508476
hexacosyl(trimethoxy)silane
CID 150262252
trimethoxy(pentacontyl)silane
CID 87930715
hexane;bis(hexyl(trimethoxy)silane)
CID 175053771

Frequently Asked Questions

What is the IUPAC name of 3-[heptoxy(dimethoxy)silyl]propane-1,1-diamine?
The IUPAC name of 3-[heptoxy(dimethoxy)silyl]propane-1,1-diamine (CID 163213327) is 3-[heptoxy(dimethoxy)silyl]propane-1,1-diamine.
What is the SMILES notation for 3-[heptoxy(dimethoxy)silyl]propane-1,1-diamine?
The canonical SMILES for 3-[heptoxy(dimethoxy)silyl]propane-1,1-diamine is CCCCCCCO[Si](CCC(N)N)(OC)OC.
What is the InChIKey of 3-[heptoxy(dimethoxy)silyl]propane-1,1-diamine?
The InChIKey is IRFPJUHYKGXAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H30N2O3Si/c1-4-5-6-7-8-10-17-18(15-2,16-3)11-9-12(13)14/h12H,4-11,13-14H2,1-3H3.
What are the key properties of 3-[heptoxy(dimethoxy)silyl]propane-1,1-diamine?
3-[heptoxy(dimethoxy)silyl]propane-1,1-diamine has a molecular weight of 278.47 g/mol, XLogP of 1.84, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[heptoxy(dimethoxy)silyl]propane-1,1-diamine is sourced from PubChem (CID 163213327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).