3-(diethoxysilylmethyl)pentane-1,3-diamine

C10H26N2O2Si — CID 173279320

IUPAC3-(diethoxysilylmethyl)pentane-1,3-diamine
SMILESCCO[SiH](CC(N)(CC)CCN)OCC
InChIInChI=1S/C10H26N2O2Si/c1-4-10(12,7-8-11)9-15(13-5-2)14-6-3/h15H,4-9,11-12H2,1-3H3
InChIKeyCSCOQNPWLHHJNA-UHFFFAOYSA-N
MW234.42 g/mol
LogP0.74
Rot. Bonds9

About 3-(diethoxysilylmethyl)pentane-1,3-diamine

3-(diethoxysilylmethyl)pentane-1,3-diamine (PubChem CID 173279320) has the molecular formula C10H26N2O2Si and a molecular weight of 234.42 g/mol. Its IUPAC name is 3-(diethoxysilylmethyl)pentane-1,3-diamine.

Molecular Properties

Compound Name3-(diethoxysilylmethyl)pentane-1,3-diamine
PubChem CID173279320
Molecular FormulaC10H26N2O2Si
Molecular Weight234.42 g/mol
Exact Mass234.18
IUPAC Name3-(diethoxysilylmethyl)pentane-1,3-diamine
SMILESCCO[SiH](CC(N)(CC)CCN)OCC
InChIInChI=1S/C10H26N2O2Si/c1-4-10(12,7-8-11)9-15(13-5-2)14-6-3/h15H,4-9,11-12H2,1-3H3
InChIKeyCSCOQNPWLHHJNA-UHFFFAOYSA-N
XLogP0.74
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.42
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-ethylpentane-1,3-diamine
CID 22019015
2-ethylbutane-1,2,4-triamine
CID 88635089
3-ethyloctane-1,3-diamine
CID 91122286
N'-(1-diethoxysilylbutan-2-yl)ethane-1,2-diamine
CID 173106789
ethane-1,2-diamine;triethoxysilane
CID 175110437
9-diethoxysilylnonyl(diethoxy)silane
CID 123249376
diethoxy(ethyl)silane;hydrochloride
CID 172697109
diethoxy-(3-ethoxy-3,3-dimethoxypropyl)silane
CID 175468457
N'-methylethane-1,2-diamine;triethoxysilane
CID 173025805
3-propylheptane-1,3,7-triamine
CID 57060059
3-ethylpentan-3-amine;sulfane;tungsten
CID 11450352
3-ethylpentan-3-amine;phosphane;hexahydrofluoride
CID 173156412

Frequently Asked Questions

What is the IUPAC name of 3-(diethoxysilylmethyl)pentane-1,3-diamine?
The IUPAC name of 3-(diethoxysilylmethyl)pentane-1,3-diamine (CID 173279320) is 3-(diethoxysilylmethyl)pentane-1,3-diamine.
What is the SMILES notation for 3-(diethoxysilylmethyl)pentane-1,3-diamine?
The canonical SMILES for 3-(diethoxysilylmethyl)pentane-1,3-diamine is CCO[SiH](CC(N)(CC)CCN)OCC.
What is the InChIKey of 3-(diethoxysilylmethyl)pentane-1,3-diamine?
The InChIKey is CSCOQNPWLHHJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H26N2O2Si/c1-4-10(12,7-8-11)9-15(13-5-2)14-6-3/h15H,4-9,11-12H2,1-3H3.
What are the key properties of 3-(diethoxysilylmethyl)pentane-1,3-diamine?
3-(diethoxysilylmethyl)pentane-1,3-diamine has a molecular weight of 234.42 g/mol, XLogP of 0.74, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethoxysilylmethyl)pentane-1,3-diamine is sourced from PubChem (CID 173279320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).