2-triethoxysilylhexan-1-amine

C12H29NO3Si — CID 87125413

IUPAC2-triethoxysilylhexan-1-amine
SMILESCCCCC(CN)[Si](OCC)(OCC)OCC
InChIInChI=1S/C12H29NO3Si/c1-5-9-10-12(11-13)17(14-6-2,15-7-3)16-8-4/h12H,5-11,13H2,1-4H3
InChIKeyHHHVZABSRFYSTO-UHFFFAOYSA-N
MW263.45 g/mol
LogP2.55
Rot. Bonds11

About 2-triethoxysilylhexan-1-amine

2-triethoxysilylhexan-1-amine (PubChem CID 87125413) has the molecular formula C12H29NO3Si and a molecular weight of 263.45 g/mol. Its IUPAC name is 2-triethoxysilylhexan-1-amine.

Molecular Properties

Compound Name2-triethoxysilylhexan-1-amine
PubChem CID87125413
Molecular FormulaC12H29NO3Si
Molecular Weight263.45 g/mol
Exact Mass263.19
IUPAC Name2-triethoxysilylhexan-1-amine
SMILESCCCCC(CN)[Si](OCC)(OCC)OCC
InChIInChI=1S/C12H29NO3Si/c1-5-9-10-12(11-13)17(14-6-2,15-7-3)16-8-4/h12H,5-11,13H2,1-4H3
InChIKeyHHHVZABSRFYSTO-UHFFFAOYSA-N
XLogP2.55
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.45
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-triethoxysilylbutane-1,4-diamine
CID 89315608
1-bromohexan-2-yl(triethoxy)silane
CID 142614028
3-triethoxysilyloctoxymethanedithioic acid
CID 171618553
tributyl(1-triethoxysilylpropyl)phosphanium
CID 22910406
1-triethoxysilyldecan-1-amine
CID 87463354
N-diazo-2-triethoxysilylhexane-1-sulfonamide
CID 19882891
N,N-dimethyl-6-triethoxysilylhenicosan-4-amine
CID 175028426
triethoxy(2-phenyloct-1-en-4-yl)silane
CID 101379402
N,N-dimethyl-1-triethoxysilylhexan-1-amine
CID 89262216
2-butylhexan-1-amine
CID 54041151
triethoxy-[1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]octan-3-yl]silane
CID 178023193
3-trimethoxysilyltetradecan-1-amine
CID 22997270

Frequently Asked Questions

What is the IUPAC name of 2-triethoxysilylhexan-1-amine?
The IUPAC name of 2-triethoxysilylhexan-1-amine (CID 87125413) is 2-triethoxysilylhexan-1-amine.
What is the SMILES notation for 2-triethoxysilylhexan-1-amine?
The canonical SMILES for 2-triethoxysilylhexan-1-amine is CCCCC(CN)[Si](OCC)(OCC)OCC.
What is the InChIKey of 2-triethoxysilylhexan-1-amine?
The InChIKey is HHHVZABSRFYSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29NO3Si/c1-5-9-10-12(11-13)17(14-6-2,15-7-3)16-8-4/h12H,5-11,13H2,1-4H3.
What are the key properties of 2-triethoxysilylhexan-1-amine?
2-triethoxysilylhexan-1-amine has a molecular weight of 263.45 g/mol, XLogP of 2.55, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-triethoxysilylhexan-1-amine is sourced from PubChem (CID 87125413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).