3-[6-(3-aminopropyl)-2,2-dimethyloxasilinan-6-yl]propan-1-amine

C12H28N2OSi — CID 70257736

IUPAC3-[6-(3-aminopropyl)-2,2-dimethyloxasilinan-6-yl]propan-1-amine
SMILESC[Si]1(C)CCCC(CCCN)(CCCN)O1
InChIInChI=1S/C12H28N2OSi/c1-16(2)11-5-8-12(15-16,6-3-9-13)7-4-10-14/h3-11,13-14H2,1-2H3
InChIKeyQZSLLWDFXUPYGU-UHFFFAOYSA-N
MW244.45 g/mol
LogP2.22
Rot. Bonds6

About 3-[6-(3-aminopropyl)-2,2-dimethyloxasilinan-6-yl]propan-1-amine

3-[6-(3-aminopropyl)-2,2-dimethyloxasilinan-6-yl]propan-1-amine (PubChem CID 70257736) has the molecular formula C12H28N2OSi and a molecular weight of 244.45 g/mol. Its IUPAC name is 3-[6-(3-aminopropyl)-2,2-dimethyloxasilinan-6-yl]propan-1-amine.

Molecular Properties

Compound Name3-[6-(3-aminopropyl)-2,2-dimethyloxasilinan-6-yl]propan-1-amine
PubChem CID70257736
Molecular FormulaC12H28N2OSi
Molecular Weight244.45 g/mol
Exact Mass244.20
IUPAC Name3-[6-(3-aminopropyl)-2,2-dimethyloxasilinan-6-yl]propan-1-amine
SMILESC[Si]1(C)CCCC(CCCN)(CCCN)O1
InChIInChI=1S/C12H28N2OSi/c1-16(2)11-5-8-12(15-16,6-3-9-13)7-4-10-14/h3-11,13-14H2,1-2H3
InChIKeyQZSLLWDFXUPYGU-UHFFFAOYSA-N
XLogP2.22
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 52.22
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 3-[6-(3-aminopropyl)-2,2-dimethyloxasilinan-6-yl]propan-1-amine?
The IUPAC name of 3-[6-(3-aminopropyl)-2,2-dimethyloxasilinan-6-yl]propan-1-amine (CID 70257736) is 3-[6-(3-aminopropyl)-2,2-dimethyloxasilinan-6-yl]propan-1-amine.
What is the SMILES notation for 3-[6-(3-aminopropyl)-2,2-dimethyloxasilinan-6-yl]propan-1-amine?
The canonical SMILES for 3-[6-(3-aminopropyl)-2,2-dimethyloxasilinan-6-yl]propan-1-amine is C[Si]1(C)CCCC(CCCN)(CCCN)O1.
What is the InChIKey of 3-[6-(3-aminopropyl)-2,2-dimethyloxasilinan-6-yl]propan-1-amine?
The InChIKey is QZSLLWDFXUPYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2OSi/c1-16(2)11-5-8-12(15-16,6-3-9-13)7-4-10-14/h3-11,13-14H2,1-2H3.
What are the key properties of 3-[6-(3-aminopropyl)-2,2-dimethyloxasilinan-6-yl]propan-1-amine?
3-[6-(3-aminopropyl)-2,2-dimethyloxasilinan-6-yl]propan-1-amine has a molecular weight of 244.45 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(3-aminopropyl)-2,2-dimethyloxasilinan-6-yl]propan-1-amine is sourced from PubChem (CID 70257736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).