3-dipropoxysilyl-N,N-bis(2-ethoxyethyl)propan-1-amine

C17H39NO4Si — CID 123972551

IUPAC3-dipropoxysilyl-N,N-bis(2-ethoxyethyl)propan-1-amine
SMILESCCCO[SiH](CCCN(CCOCC)CCOCC)OCCC
InChIInChI=1S/C17H39NO4Si/c1-5-13-21-23(22-14-6-2)17-9-10-18(11-15-19-7-3)12-16-20-8-4/h23H,5-17H2,1-4H3
InChIKeyUHLCYQFIDVWREV-UHFFFAOYSA-N
MW349.59 g/mol
LogP2.83
Rot. Bonds18

About 3-dipropoxysilyl-N,N-bis(2-ethoxyethyl)propan-1-amine

3-dipropoxysilyl-N,N-bis(2-ethoxyethyl)propan-1-amine (PubChem CID 123972551) has the molecular formula C17H39NO4Si and a molecular weight of 349.59 g/mol. Its IUPAC name is 3-dipropoxysilyl-N,N-bis(2-ethoxyethyl)propan-1-amine.

Molecular Properties

Compound Name3-dipropoxysilyl-N,N-bis(2-ethoxyethyl)propan-1-amine
PubChem CID123972551
Molecular FormulaC17H39NO4Si
Molecular Weight349.59 g/mol
Exact Mass349.26
IUPAC Name3-dipropoxysilyl-N,N-bis(2-ethoxyethyl)propan-1-amine
SMILESCCCO[SiH](CCCN(CCOCC)CCOCC)OCCC
InChIInChI=1S/C17H39NO4Si/c1-5-13-21-23(22-14-6-2)17-9-10-18(11-15-19-7-3)12-16-20-8-4/h23H,5-17H2,1-4H3
InChIKeyUHLCYQFIDVWREV-UHFFFAOYSA-N
XLogP2.83
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.59
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-dipropoxysilyl-N,N-bis(2-ethoxyethyl)propan-1-amine?
The IUPAC name of 3-dipropoxysilyl-N,N-bis(2-ethoxyethyl)propan-1-amine (CID 123972551) is 3-dipropoxysilyl-N,N-bis(2-ethoxyethyl)propan-1-amine.
What is the SMILES notation for 3-dipropoxysilyl-N,N-bis(2-ethoxyethyl)propan-1-amine?
The canonical SMILES for 3-dipropoxysilyl-N,N-bis(2-ethoxyethyl)propan-1-amine is CCCO[SiH](CCCN(CCOCC)CCOCC)OCCC.
What is the InChIKey of 3-dipropoxysilyl-N,N-bis(2-ethoxyethyl)propan-1-amine?
The InChIKey is UHLCYQFIDVWREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H39NO4Si/c1-5-13-21-23(22-14-6-2)17-9-10-18(11-15-19-7-3)12-16-20-8-4/h23H,5-17H2,1-4H3.
What are the key properties of 3-dipropoxysilyl-N,N-bis(2-ethoxyethyl)propan-1-amine?
3-dipropoxysilyl-N,N-bis(2-ethoxyethyl)propan-1-amine has a molecular weight of 349.59 g/mol, XLogP of 2.83, 18 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dipropoxysilyl-N,N-bis(2-ethoxyethyl)propan-1-amine is sourced from PubChem (CID 123972551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).