1-triethoxysilylheptan-2-amine

C13H31NO3Si — CID 90410833

IUPAC1-triethoxysilylheptan-2-amine
SMILESCCCCCC(N)C[Si](OCC)(OCC)OCC
InChIInChI=1S/C13H31NO3Si/c1-5-9-10-11-13(14)12-18(15-6-2,16-7-3)17-8-4/h13H,5-12,14H2,1-4H3
InChIKeyPVEBOZVCECZTIW-UHFFFAOYSA-N
MW277.48 g/mol
LogP2.94
Rot. Bonds12

About 1-triethoxysilylheptan-2-amine

1-triethoxysilylheptan-2-amine (PubChem CID 90410833) has the molecular formula C13H31NO3Si and a molecular weight of 277.48 g/mol. Its IUPAC name is 1-triethoxysilylheptan-2-amine.

Molecular Properties

Compound Name1-triethoxysilylheptan-2-amine
PubChem CID90410833
Molecular FormulaC13H31NO3Si
Molecular Weight277.48 g/mol
Exact Mass277.21
IUPAC Name1-triethoxysilylheptan-2-amine
SMILESCCCCCC(N)C[Si](OCC)(OCC)OCC
InChIInChI=1S/C13H31NO3Si/c1-5-9-10-11-13(14)12-18(15-6-2,16-7-3)17-8-4/h13H,5-12,14H2,1-4H3
InChIKeyPVEBOZVCECZTIW-UHFFFAOYSA-N
XLogP2.94
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.48
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-triethoxysilylnonan-3-amine
CID 174893376
triethoxy(2-heptylundecyl)silane
CID 139707869
4-propyl-5-(triethoxysilylmethyl)nonadecan-4-amine
CID 87394069
1-triethoxysilyldecan-1-amine
CID 87463354
3-(triethoxysilylmethyl)heptan-2-amine
CID 23048093
1-[diethoxy(methyl)silyl]oxyoctan-2-amine
CID 151891449
triethoxy(8-fluorohenicosyl)silane
CID 87070985
pentacosan-7-amine
CID 88938409
nonapentacontan-30-amine
CID 118952570
1-[diethoxy(methyl)silyl]heptan-1-amine
CID 174602385
octadecan-9-amine;hydrochloride
CID 19002510
henicosane-8,14-diamine;dihydrochloride
CID 170909168

Frequently Asked Questions

What is the IUPAC name of 1-triethoxysilylheptan-2-amine?
The IUPAC name of 1-triethoxysilylheptan-2-amine (CID 90410833) is 1-triethoxysilylheptan-2-amine.
What is the SMILES notation for 1-triethoxysilylheptan-2-amine?
The canonical SMILES for 1-triethoxysilylheptan-2-amine is CCCCCC(N)C[Si](OCC)(OCC)OCC.
What is the InChIKey of 1-triethoxysilylheptan-2-amine?
The InChIKey is PVEBOZVCECZTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H31NO3Si/c1-5-9-10-11-13(14)12-18(15-6-2,16-7-3)17-8-4/h13H,5-12,14H2,1-4H3.
What are the key properties of 1-triethoxysilylheptan-2-amine?
1-triethoxysilylheptan-2-amine has a molecular weight of 277.48 g/mol, XLogP of 2.94, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-triethoxysilylheptan-2-amine is sourced from PubChem (CID 90410833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).