4-[[3-aminopropyl(dimethyl)silyl]methoxy]-4-methylpentan-1-amine

C12H30N2OSi — CID 59979890

IUPAC4-[[3-aminopropyl(dimethyl)silyl]methoxy]-4-methylpentan-1-amine
SMILESCC(C)(CCCN)OC[Si](C)(C)CCCN
InChIInChI=1S/C12H30N2OSi/c1-12(2,7-5-8-13)15-11-16(3,4)10-6-9-14/h5-11,13-14H2,1-4H3
InChIKeyXEOIKGPGNRHAQC-UHFFFAOYSA-N
MW246.47 g/mol
LogP2.12
Rot. Bonds9

About 4-[[3-aminopropyl(dimethyl)silyl]methoxy]-4-methylpentan-1-amine

4-[[3-aminopropyl(dimethyl)silyl]methoxy]-4-methylpentan-1-amine (PubChem CID 59979890) has the molecular formula C12H30N2OSi and a molecular weight of 246.47 g/mol. Its IUPAC name is 4-[[3-aminopropyl(dimethyl)silyl]methoxy]-4-methylpentan-1-amine.

Molecular Properties

Compound Name4-[[3-aminopropyl(dimethyl)silyl]methoxy]-4-methylpentan-1-amine
PubChem CID59979890
Molecular FormulaC12H30N2OSi
Molecular Weight246.47 g/mol
Exact Mass246.21
IUPAC Name4-[[3-aminopropyl(dimethyl)silyl]methoxy]-4-methylpentan-1-amine
SMILESCC(C)(CCCN)OC[Si](C)(C)CCCN
InChIInChI=1S/C12H30N2OSi/c1-12(2,7-5-8-13)15-11-16(3,4)10-6-9-14/h5-11,13-14H2,1-4H3
InChIKeyXEOIKGPGNRHAQC-UHFFFAOYSA-N
XLogP2.12
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.47
LogP ≤ 52.12
H-Bond Donors ≤ 52
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 4-[[3-aminopropyl(dimethyl)silyl]methoxy]-4-methylpentan-1-amine?
The IUPAC name of 4-[[3-aminopropyl(dimethyl)silyl]methoxy]-4-methylpentan-1-amine (CID 59979890) is 4-[[3-aminopropyl(dimethyl)silyl]methoxy]-4-methylpentan-1-amine.
What is the SMILES notation for 4-[[3-aminopropyl(dimethyl)silyl]methoxy]-4-methylpentan-1-amine?
The canonical SMILES for 4-[[3-aminopropyl(dimethyl)silyl]methoxy]-4-methylpentan-1-amine is CC(C)(CCCN)OC[Si](C)(C)CCCN.
What is the InChIKey of 4-[[3-aminopropyl(dimethyl)silyl]methoxy]-4-methylpentan-1-amine?
The InChIKey is XEOIKGPGNRHAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H30N2OSi/c1-12(2,7-5-8-13)15-11-16(3,4)10-6-9-14/h5-11,13-14H2,1-4H3.
What are the key properties of 4-[[3-aminopropyl(dimethyl)silyl]methoxy]-4-methylpentan-1-amine?
4-[[3-aminopropyl(dimethyl)silyl]methoxy]-4-methylpentan-1-amine has a molecular weight of 246.47 g/mol, XLogP of 2.12, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-aminopropyl(dimethyl)silyl]methoxy]-4-methylpentan-1-amine is sourced from PubChem (CID 59979890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).