(1-amino-4-ethoxyheptan-4-yl) (dimethylamino)methyl diethyl silicate

C16H38N2O5Si — CID 174767471

IUPAC(1-amino-4-ethoxyheptan-4-yl) (dimethylamino)methyl diethyl silicate
SMILESCCCC(CCCN)(OCC)O[Si](OCC)(OCC)OCN(C)C
InChIInChI=1S/C16H38N2O5Si/c1-7-12-16(19-8-2,13-11-14-17)23-24(20-9-3,21-10-4)22-15-18(5)6/h7-15,17H2,1-6H3
InChIKeyOPWJYZNJSNDTCA-UHFFFAOYSA-N
MW366.58 g/mol
LogP2.32
Rot. Bonds16

About (1-amino-4-ethoxyheptan-4-yl) (dimethylamino)methyl diethyl silicate

(1-amino-4-ethoxyheptan-4-yl) (dimethylamino)methyl diethyl silicate (PubChem CID 174767471) has the molecular formula C16H38N2O5Si and a molecular weight of 366.58 g/mol. Its IUPAC name is (1-amino-4-ethoxyheptan-4-yl) (dimethylamino)methyl diethyl silicate.

Molecular Properties

Compound Name(1-amino-4-ethoxyheptan-4-yl) (dimethylamino)methyl diethyl silicate
PubChem CID174767471
Molecular FormulaC16H38N2O5Si
Molecular Weight366.58 g/mol
Exact Mass366.25
IUPAC Name(1-amino-4-ethoxyheptan-4-yl) (dimethylamino)methyl diethyl silicate
SMILESCCCC(CCCN)(OCC)O[Si](OCC)(OCC)OCN(C)C
InChIInChI=1S/C16H38N2O5Si/c1-7-12-16(19-8-2,13-11-14-17)23-24(20-9-3,21-10-4)22-15-18(5)6/h7-15,17H2,1-6H3
InChIKeyOPWJYZNJSNDTCA-UHFFFAOYSA-N
XLogP2.32
TPSA75.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.58
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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Related Compounds

(1-amino-4-ethoxydecan-4-yl) diethyl heptyl silicate
CID 174933385
(5-amino-1,1,2-triethoxypentan-2-yl) triethyl silicate
CID 174953555
(5-amino-2-ethoxypentan-2-yl) diethyl methyl silicate
CID 174781513
(4-amino-1-ethoxy-1-trimethylsilylbutyl) diethyl methyl silicate
CID 174747966
(5-amino-2-ethoxypentan-2-yl) triethyl silicate;oxolane
CID 174995931
4-triethoxysilylheptane-1,4-diamine
CID 91551145
(5-amino-2-ethoxypentan-2-yl) triethyl silicate;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174933644
4-aminobutyl triethyl silicate
CID 140519735
(4-amino-1-ethoxy-1-phenylbutyl) diethyl methyl silicate
CID 174858587
1-chloro-2,2-diethoxypentane
CID 174444094
[diethoxy(triethoxysilyl)methyl] triethyl silicate
CID 58810725
3-aminopropylsilyl triethyl silicate
CID 123662062

Frequently Asked Questions

What is the IUPAC name of (1-amino-4-ethoxyheptan-4-yl) (dimethylamino)methyl diethyl silicate?
The IUPAC name of (1-amino-4-ethoxyheptan-4-yl) (dimethylamino)methyl diethyl silicate (CID 174767471) is (1-amino-4-ethoxyheptan-4-yl) (dimethylamino)methyl diethyl silicate.
What is the SMILES notation for (1-amino-4-ethoxyheptan-4-yl) (dimethylamino)methyl diethyl silicate?
The canonical SMILES for (1-amino-4-ethoxyheptan-4-yl) (dimethylamino)methyl diethyl silicate is CCCC(CCCN)(OCC)O[Si](OCC)(OCC)OCN(C)C.
What is the InChIKey of (1-amino-4-ethoxyheptan-4-yl) (dimethylamino)methyl diethyl silicate?
The InChIKey is OPWJYZNJSNDTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H38N2O5Si/c1-7-12-16(19-8-2,13-11-14-17)23-24(20-9-3,21-10-4)22-15-18(5)6/h7-15,17H2,1-6H3.
What are the key properties of (1-amino-4-ethoxyheptan-4-yl) (dimethylamino)methyl diethyl silicate?
(1-amino-4-ethoxyheptan-4-yl) (dimethylamino)methyl diethyl silicate has a molecular weight of 366.58 g/mol, XLogP of 2.32, 16 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-4-ethoxyheptan-4-yl) (dimethylamino)methyl diethyl silicate is sourced from PubChem (CID 174767471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).