3-(2,5-dimethylhexan-3-yloxysilyl)propan-1-amine

C11H27NOSi — CID 123748484

IUPAC3-(2,5-dimethylhexan-3-yloxysilyl)propan-1-amine
SMILESCC(C)CC(O[SiH2]CCCN)C(C)C
InChIInChI=1S/C11H27NOSi/c1-9(2)8-11(10(3)4)13-14-7-5-6-12/h9-11H,5-8,12,14H2,1-4H3
InChIKeyCYJMZYOTGAZIJS-UHFFFAOYSA-N
MW217.43 g/mol
LogP1.92
Rot. Bonds8

About 3-(2,5-dimethylhexan-3-yloxysilyl)propan-1-amine

3-(2,5-dimethylhexan-3-yloxysilyl)propan-1-amine (PubChem CID 123748484) has the molecular formula C11H27NOSi and a molecular weight of 217.43 g/mol. Its IUPAC name is 3-(2,5-dimethylhexan-3-yloxysilyl)propan-1-amine.

Molecular Properties

Compound Name3-(2,5-dimethylhexan-3-yloxysilyl)propan-1-amine
PubChem CID123748484
Molecular FormulaC11H27NOSi
Molecular Weight217.43 g/mol
Exact Mass217.19
IUPAC Name3-(2,5-dimethylhexan-3-yloxysilyl)propan-1-amine
SMILESCC(C)CC(O[SiH2]CCCN)C(C)C
InChIInChI=1S/C11H27NOSi/c1-9(2)8-11(10(3)4)13-14-7-5-6-12/h9-11H,5-8,12,14H2,1-4H3
InChIKeyCYJMZYOTGAZIJS-UHFFFAOYSA-N
XLogP1.92
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.43
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2,6-dimethylheptan-3-yloxy-[2-(2,6-dimethylheptan-3-yloxysilyl)ethyl]silane
CID 123487885
5-hexan-3-yloxysilylpentan-1-amine
CID 123592667
4-N,4-N,6-trimethylheptane-1,4-diamine
CID 116905112
N,N-dimethyl-3-propan-2-yloxysilylpropan-1-amine
CID 175065172
3-[bis(2-methylpropoxy)methylsilyl]propan-1-amine
CID 154382154
N',N'-dimethylpropane-1,3-diamine;4-methylpentan-2-amine
CID 19050558
4,7-dimethyloctan-1-amine
CID 123439711
2-(diethoxymethoxysilyl)ethanamine
CID 123825582
N'-(5-methylhexan-2-yl)propane-1,3-diamine
CID 60889893
3-aminopropylsilyl triethyl silicate
CID 123662062
3-(3-aminopropylsilyl)propan-1-amine
CID 172690890
1-(3-aminopropoxy)ethanol
CID 19915425

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylhexan-3-yloxysilyl)propan-1-amine?
The IUPAC name of 3-(2,5-dimethylhexan-3-yloxysilyl)propan-1-amine (CID 123748484) is 3-(2,5-dimethylhexan-3-yloxysilyl)propan-1-amine.
What is the SMILES notation for 3-(2,5-dimethylhexan-3-yloxysilyl)propan-1-amine?
The canonical SMILES for 3-(2,5-dimethylhexan-3-yloxysilyl)propan-1-amine is CC(C)CC(O[SiH2]CCCN)C(C)C.
What is the InChIKey of 3-(2,5-dimethylhexan-3-yloxysilyl)propan-1-amine?
The InChIKey is CYJMZYOTGAZIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27NOSi/c1-9(2)8-11(10(3)4)13-14-7-5-6-12/h9-11H,5-8,12,14H2,1-4H3.
What are the key properties of 3-(2,5-dimethylhexan-3-yloxysilyl)propan-1-amine?
3-(2,5-dimethylhexan-3-yloxysilyl)propan-1-amine has a molecular weight of 217.43 g/mol, XLogP of 1.92, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylhexan-3-yloxysilyl)propan-1-amine is sourced from PubChem (CID 123748484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).