1-N'-[1-(2,2-dimethyloxasilinan-6-yl)propyl]ethane-1,1-diamine

C11H26N2OSi — CID 66958834

IUPAC1-N'-[1-(2,2-dimethyloxasilinan-6-yl)propyl]ethane-1,1-diamine
SMILESCCC(NC(C)N)C1CCC[Si](C)(C)O1
InChIInChI=1S/C11H26N2OSi/c1-5-10(13-9(2)12)11-7-6-8-15(3,4)14-11/h9-11,13H,5-8,12H2,1-4H3
InChIKeyVPFZZJQQBJDWGR-UHFFFAOYSA-N
MW230.43 g/mol
LogP2.04
Rot. Bonds4

About 1-N'-[1-(2,2-dimethyloxasilinan-6-yl)propyl]ethane-1,1-diamine

1-N'-[1-(2,2-dimethyloxasilinan-6-yl)propyl]ethane-1,1-diamine (PubChem CID 66958834) has the molecular formula C11H26N2OSi and a molecular weight of 230.43 g/mol. Its IUPAC name is 1-N'-[1-(2,2-dimethyloxasilinan-6-yl)propyl]ethane-1,1-diamine.

Molecular Properties

Compound Name1-N'-[1-(2,2-dimethyloxasilinan-6-yl)propyl]ethane-1,1-diamine
PubChem CID66958834
Molecular FormulaC11H26N2OSi
Molecular Weight230.43 g/mol
Exact Mass230.18
IUPAC Name1-N'-[1-(2,2-dimethyloxasilinan-6-yl)propyl]ethane-1,1-diamine
SMILESCCC(NC(C)N)C1CCC[Si](C)(C)O1
InChIInChI=1S/C11H26N2OSi/c1-5-10(13-9(2)12)11-7-6-8-15(3,4)14-11/h9-11,13H,5-8,12H2,1-4H3
InChIKeyVPFZZJQQBJDWGR-UHFFFAOYSA-N
XLogP2.04
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.43
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N'-[1-(2,2-dimethyloxasilinan-6-yl)propyl]ethane-1,1-diamine?
The IUPAC name of 1-N'-[1-(2,2-dimethyloxasilinan-6-yl)propyl]ethane-1,1-diamine (CID 66958834) is 1-N'-[1-(2,2-dimethyloxasilinan-6-yl)propyl]ethane-1,1-diamine.
What is the SMILES notation for 1-N'-[1-(2,2-dimethyloxasilinan-6-yl)propyl]ethane-1,1-diamine?
The canonical SMILES for 1-N'-[1-(2,2-dimethyloxasilinan-6-yl)propyl]ethane-1,1-diamine is CCC(NC(C)N)C1CCC[Si](C)(C)O1.
What is the InChIKey of 1-N'-[1-(2,2-dimethyloxasilinan-6-yl)propyl]ethane-1,1-diamine?
The InChIKey is VPFZZJQQBJDWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2OSi/c1-5-10(13-9(2)12)11-7-6-8-15(3,4)14-11/h9-11,13H,5-8,12H2,1-4H3.
What are the key properties of 1-N'-[1-(2,2-dimethyloxasilinan-6-yl)propyl]ethane-1,1-diamine?
1-N'-[1-(2,2-dimethyloxasilinan-6-yl)propyl]ethane-1,1-diamine has a molecular weight of 230.43 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[1-(2,2-dimethyloxasilinan-6-yl)propyl]ethane-1,1-diamine is sourced from PubChem (CID 66958834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).