[3-(dimethylamino)-2-(triethoxysilylmethyl)butyl] carbamate

C14H32N2O5Si — CID 87369701

IUPAC[3-(dimethylamino)-2-(triethoxysilylmethyl)butyl] carbamate
SMILESCCO[Si](CC(COC(N)=O)C(C)N(C)C)(OCC)OCC
InChIInChI=1S/C14H32N2O5Si/c1-7-19-22(20-8-2,21-9-3)11-13(10-18-14(15)17)12(4)16(5)6/h12-13H,7-11H2,1-6H3,(H2,15,17)
InChIKeyNNLLRLGTBMTCPI-UHFFFAOYSA-N
MW336.51 g/mol
LogP1.70
Rot. Bonds12

About [3-(dimethylamino)-2-(triethoxysilylmethyl)butyl] carbamate

[3-(dimethylamino)-2-(triethoxysilylmethyl)butyl] carbamate (PubChem CID 87369701) has the molecular formula C14H32N2O5Si and a molecular weight of 336.51 g/mol. Its IUPAC name is [3-(dimethylamino)-2-(triethoxysilylmethyl)butyl] carbamate.

Molecular Properties

Compound Name[3-(dimethylamino)-2-(triethoxysilylmethyl)butyl] carbamate
PubChem CID87369701
Molecular FormulaC14H32N2O5Si
Molecular Weight336.51 g/mol
Exact Mass336.21
IUPAC Name[3-(dimethylamino)-2-(triethoxysilylmethyl)butyl] carbamate
SMILESCCO[Si](CC(COC(N)=O)C(C)N(C)C)(OCC)OCC
InChIInChI=1S/C14H32N2O5Si/c1-7-19-22(20-8-2,21-9-3)11-13(10-18-14(15)17)12(4)16(5)6/h12-13H,7-11H2,1-6H3,(H2,15,17)
InChIKeyNNLLRLGTBMTCPI-UHFFFAOYSA-N
XLogP1.70
TPSA83.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.51
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[4-(dimethylamino)-2-(triethoxysilylmethyl)butyl] carbamate
CID 87369702
[2-(dimethylamino)-1-triethoxysilylpentan-3-yl] carbamate
CID 175246866
(2-hydroxy-6-triethoxysilylhexyl) carbamate
CID 154262289
2-iodopropyl carbamate
CID 87289235
1-triethoxysilylpropan-2-amine
CID 10236113
triethoxy-(3-ethyl-2-methylpentyl)silane
CID 18696416
(2-methyl-3-triethoxysilylpropyl) 2-methylprop-2-enoate
CID 22597143
[methyl-di(propan-2-yl)silyl] 2-methyl-3-triethoxysilylpropanoate
CID 151495490
ethyl carbamate;3-triethoxysilylpropan-1-amine
CID 90205560
3-(triethoxysilylmethyl)heptan-2-amine
CID 23048093
[1-(dimethylamino)-5-triethoxysilylpentan-3-yl] carbamate
CID 87369705
[pentyl-di(propan-2-yl)silyl] 2-methyl-3-triethoxysilylpropanoate
CID 155659456

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)-2-(triethoxysilylmethyl)butyl] carbamate?
The IUPAC name of [3-(dimethylamino)-2-(triethoxysilylmethyl)butyl] carbamate (CID 87369701) is [3-(dimethylamino)-2-(triethoxysilylmethyl)butyl] carbamate.
What is the SMILES notation for [3-(dimethylamino)-2-(triethoxysilylmethyl)butyl] carbamate?
The canonical SMILES for [3-(dimethylamino)-2-(triethoxysilylmethyl)butyl] carbamate is CCO[Si](CC(COC(N)=O)C(C)N(C)C)(OCC)OCC.
What is the InChIKey of [3-(dimethylamino)-2-(triethoxysilylmethyl)butyl] carbamate?
The InChIKey is NNLLRLGTBMTCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O5Si/c1-7-19-22(20-8-2,21-9-3)11-13(10-18-14(15)17)12(4)16(5)6/h12-13H,7-11H2,1-6H3,(H2,15,17).
What are the key properties of [3-(dimethylamino)-2-(triethoxysilylmethyl)butyl] carbamate?
[3-(dimethylamino)-2-(triethoxysilylmethyl)butyl] carbamate has a molecular weight of 336.51 g/mol, XLogP of 1.70, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)-2-(triethoxysilylmethyl)butyl] carbamate is sourced from PubChem (CID 87369701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).