5-[deuterio(diethoxy)silyl]oxypentan-1-amine

C9H23NO3Si — CID 175714202

IUPAC5-[deuterio(diethoxy)silyl]oxypentan-1-amine
SMILES[2H][Si](OCC)(OCC)OCCCCCN
InChIInChI=1S/C9H23NO3Si/c1-3-11-14(12-4-2)13-9-7-5-6-8-10/h14H,3-10H2,1-2H3/i14D
InChIKeyUZVGVFDYZNOZKA-FCFVPJCTSA-N
MW222.38 g/mol
LogP0.92
Rot. Bonds10

About 5-[deuterio(diethoxy)silyl]oxypentan-1-amine

5-[deuterio(diethoxy)silyl]oxypentan-1-amine (PubChem CID 175714202) has the molecular formula C9H23NO3Si and a molecular weight of 222.38 g/mol. Its IUPAC name is 5-[deuterio(diethoxy)silyl]oxypentan-1-amine.

Molecular Properties

Compound Name5-[deuterio(diethoxy)silyl]oxypentan-1-amine
PubChem CID175714202
Molecular FormulaC9H23NO3Si
Molecular Weight222.38 g/mol
Exact Mass222.15
IUPAC Name5-[deuterio(diethoxy)silyl]oxypentan-1-amine
SMILES[2H][Si](OCC)(OCC)OCCCCCN
InChIInChI=1S/C9H23NO3Si/c1-3-11-14(12-4-2)13-9-7-5-6-8-10/h14H,3-10H2,1-2H3/i14D
InChIKeyUZVGVFDYZNOZKA-FCFVPJCTSA-N
XLogP0.92
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 50.92
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

ethane-1,2-diamine;triethoxysilane
CID 175110437
3-[3-aminopropyl(ethoxy)silyl]propan-1-amine
CID 175017432
4-ethoxybutan-1-amine;hydrochloride
CID 87771260
4-nonoxybutan-1-amine
CID 139664551
11-(11-aminoundecoxy)undecan-1-amine
CID 19099845
methane;7-methoxyheptan-1-amine
CID 160693233
3-[2-aminoethyl(ethoxy)silyl]propan-1-amine
CID 123515841
6-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]hexan-1-amine
CID 104566998
ethane-1,2-diamine;hexane-1,6-diamine;propane-1,3-diamine
CID 174976752
hexane-1,6-diamine;methanamine
CID 174275715
O-(13-aminotridecyl)hydroxylamine
CID 174386502
4-aminobutyl triethyl silicate
CID 140519735

Frequently Asked Questions

What is the IUPAC name of 5-[deuterio(diethoxy)silyl]oxypentan-1-amine?
The IUPAC name of 5-[deuterio(diethoxy)silyl]oxypentan-1-amine (CID 175714202) is 5-[deuterio(diethoxy)silyl]oxypentan-1-amine.
What is the SMILES notation for 5-[deuterio(diethoxy)silyl]oxypentan-1-amine?
The canonical SMILES for 5-[deuterio(diethoxy)silyl]oxypentan-1-amine is [2H][Si](OCC)(OCC)OCCCCCN.
What is the InChIKey of 5-[deuterio(diethoxy)silyl]oxypentan-1-amine?
The InChIKey is UZVGVFDYZNOZKA-FCFVPJCTSA-N. The full InChI is InChI=1S/C9H23NO3Si/c1-3-11-14(12-4-2)13-9-7-5-6-8-10/h14H,3-10H2,1-2H3/i14D.
What are the key properties of 5-[deuterio(diethoxy)silyl]oxypentan-1-amine?
5-[deuterio(diethoxy)silyl]oxypentan-1-amine has a molecular weight of 222.38 g/mol, XLogP of 0.92, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[deuterio(diethoxy)silyl]oxypentan-1-amine is sourced from PubChem (CID 175714202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).