1-[diethoxy(methyl)silyl]-N-methylhexan-3-amine

C12H29NO2Si — CID 175202132

IUPAC1-[diethoxy(methyl)silyl]-N-methylhexan-3-amine
SMILESCCCC(CC[Si](C)(OCC)OCC)NC
InChIInChI=1S/C12H29NO2Si/c1-6-9-12(13-4)10-11-16(5,14-7-2)15-8-3/h12-13H,6-11H2,1-5H3
InChIKeySRISXYQPXGXPLQ-UHFFFAOYSA-N
MW247.45 g/mol
LogP2.91
Rot. Bonds10

About 1-[diethoxy(methyl)silyl]-N-methylhexan-3-amine

1-[diethoxy(methyl)silyl]-N-methylhexan-3-amine (PubChem CID 175202132) has the molecular formula C12H29NO2Si and a molecular weight of 247.45 g/mol. Its IUPAC name is 1-[diethoxy(methyl)silyl]-N-methylhexan-3-amine.

Molecular Properties

Compound Name1-[diethoxy(methyl)silyl]-N-methylhexan-3-amine
PubChem CID175202132
Molecular FormulaC12H29NO2Si
Molecular Weight247.45 g/mol
Exact Mass247.20
IUPAC Name1-[diethoxy(methyl)silyl]-N-methylhexan-3-amine
SMILESCCCC(CC[Si](C)(OCC)OCC)NC
InChIInChI=1S/C12H29NO2Si/c1-6-9-12(13-4)10-11-16(5,14-7-2)15-8-3/h12-13H,6-11H2,1-5H3
InChIKeySRISXYQPXGXPLQ-UHFFFAOYSA-N
XLogP2.91
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.45
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-[diethoxy(methyl)silyl]-N-methylhexan-3-amine?
The IUPAC name of 1-[diethoxy(methyl)silyl]-N-methylhexan-3-amine (CID 175202132) is 1-[diethoxy(methyl)silyl]-N-methylhexan-3-amine.
What is the SMILES notation for 1-[diethoxy(methyl)silyl]-N-methylhexan-3-amine?
The canonical SMILES for 1-[diethoxy(methyl)silyl]-N-methylhexan-3-amine is CCCC(CC[Si](C)(OCC)OCC)NC.
What is the InChIKey of 1-[diethoxy(methyl)silyl]-N-methylhexan-3-amine?
The InChIKey is SRISXYQPXGXPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29NO2Si/c1-6-9-12(13-4)10-11-16(5,14-7-2)15-8-3/h12-13H,6-11H2,1-5H3.
What are the key properties of 1-[diethoxy(methyl)silyl]-N-methylhexan-3-amine?
1-[diethoxy(methyl)silyl]-N-methylhexan-3-amine has a molecular weight of 247.45 g/mol, XLogP of 2.91, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[diethoxy(methyl)silyl]-N-methylhexan-3-amine is sourced from PubChem (CID 175202132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).