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

C15H35NO4Si — CID 123776385

IUPAC3-dipropoxysilyl-N,N-bis(2-methoxyethyl)propan-1-amine
SMILESCCCO[SiH](CCCN(CCOC)CCOC)OCCC
InChIInChI=1S/C15H35NO4Si/c1-5-11-19-21(20-12-6-2)15-7-8-16(9-13-17-3)10-14-18-4/h21H,5-15H2,1-4H3
InChIKeyJYSUDNJIAUMFEN-UHFFFAOYSA-N
MW321.53 g/mol
LogP2.05
Rot. Bonds16

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

3-dipropoxysilyl-N,N-bis(2-methoxyethyl)propan-1-amine (PubChem CID 123776385) has the molecular formula C15H35NO4Si and a molecular weight of 321.53 g/mol. Its IUPAC name is 3-dipropoxysilyl-N,N-bis(2-methoxyethyl)propan-1-amine.

Molecular Properties

Compound Name3-dipropoxysilyl-N,N-bis(2-methoxyethyl)propan-1-amine
PubChem CID123776385
Molecular FormulaC15H35NO4Si
Molecular Weight321.53 g/mol
Exact Mass321.23
IUPAC Name3-dipropoxysilyl-N,N-bis(2-methoxyethyl)propan-1-amine
SMILESCCCO[SiH](CCCN(CCOC)CCOC)OCCC
InChIInChI=1S/C15H35NO4Si/c1-5-11-19-21(20-12-6-2)15-7-8-16(9-13-17-3)10-14-18-4/h21H,5-15H2,1-4H3
InChIKeyJYSUDNJIAUMFEN-UHFFFAOYSA-N
XLogP2.05
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.53
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-methoxyethyl)propan-1-amine?
The IUPAC name of 3-dipropoxysilyl-N,N-bis(2-methoxyethyl)propan-1-amine (CID 123776385) is 3-dipropoxysilyl-N,N-bis(2-methoxyethyl)propan-1-amine.
What is the SMILES notation for 3-dipropoxysilyl-N,N-bis(2-methoxyethyl)propan-1-amine?
The canonical SMILES for 3-dipropoxysilyl-N,N-bis(2-methoxyethyl)propan-1-amine is CCCO[SiH](CCCN(CCOC)CCOC)OCCC.
What is the InChIKey of 3-dipropoxysilyl-N,N-bis(2-methoxyethyl)propan-1-amine?
The InChIKey is JYSUDNJIAUMFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H35NO4Si/c1-5-11-19-21(20-12-6-2)15-7-8-16(9-13-17-3)10-14-18-4/h21H,5-15H2,1-4H3.
What are the key properties of 3-dipropoxysilyl-N,N-bis(2-methoxyethyl)propan-1-amine?
3-dipropoxysilyl-N,N-bis(2-methoxyethyl)propan-1-amine has a molecular weight of 321.53 g/mol, XLogP of 2.05, 16 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-methoxyethyl)propan-1-amine is sourced from PubChem (CID 123776385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).