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

C14H32N2O5Si — CID 87369702

IUPAC[4-(dimethylamino)-2-(triethoxysilylmethyl)butyl] carbamate
SMILESCCO[Si](CC(CCN(C)C)COC(N)=O)(OCC)OCC
InChIInChI=1S/C14H32N2O5Si/c1-6-19-22(20-7-2,21-8-3)12-13(9-10-16(4)5)11-18-14(15)17/h13H,6-12H2,1-5H3,(H2,15,17)
InChIKeyKBDQPLGPUYBLTE-UHFFFAOYSA-N
MW336.51 g/mol
LogP1.70
Rot. Bonds13

About [4-(dimethylamino)-2-(triethoxysilylmethyl)butyl] carbamate

[4-(dimethylamino)-2-(triethoxysilylmethyl)butyl] carbamate (PubChem CID 87369702) has the molecular formula C14H32N2O5Si and a molecular weight of 336.51 g/mol. Its IUPAC name is [4-(dimethylamino)-2-(triethoxysilylmethyl)butyl] carbamate.

Molecular Properties

Compound Name[4-(dimethylamino)-2-(triethoxysilylmethyl)butyl] carbamate
PubChem CID87369702
Molecular FormulaC14H32N2O5Si
Molecular Weight336.51 g/mol
Exact Mass336.21
IUPAC Name[4-(dimethylamino)-2-(triethoxysilylmethyl)butyl] carbamate
SMILESCCO[Si](CC(CCN(C)C)COC(N)=O)(OCC)OCC
InChIInChI=1S/C14H32N2O5Si/c1-6-19-22(20-7-2,21-8-3)12-13(9-10-16(4)5)11-18-14(15)17/h13H,6-12H2,1-5H3,(H2,15,17)
InChIKeyKBDQPLGPUYBLTE-UHFFFAOYSA-N
XLogP1.70
TPSA83.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
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

[3-(dimethylamino)-2-(triethoxysilylmethyl)butyl] carbamate
CID 87369701
[1-(dimethylamino)-5-triethoxysilylpentan-3-yl] carbamate
CID 87369705
[2-(dimethylamino)-1-triethoxysilylpentan-3-yl] carbamate
CID 175246866
(2-hydroxy-6-triethoxysilylhexyl) carbamate
CID 154262289
ethyl 4-(dimethylamino)-2-(ethylamino)butanoate
CID 63028800
[3-(dimethylamino)-2-hydroxypropyl] carbamate
CID 87246058
2-butyloctyl carbamate
CID 22099120
ethyl carbamate;3-triethoxysilylpropan-1-amine
CID 90205560
2-iodopropyl carbamate
CID 87289235
triethoxy(2-heptylundecyl)silane
CID 139707869
triethoxy-[2-ethyl-4-[3-(trimethylsilylmethyl)pentyltetrasulfanyl]butyl]silane
CID 162193631
(2-methyl-3-triethoxysilylpropyl) 2-methylprop-2-enoate
CID 22597143

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)-2-(triethoxysilylmethyl)butyl] carbamate?
The IUPAC name of [4-(dimethylamino)-2-(triethoxysilylmethyl)butyl] carbamate (CID 87369702) is [4-(dimethylamino)-2-(triethoxysilylmethyl)butyl] carbamate.
What is the SMILES notation for [4-(dimethylamino)-2-(triethoxysilylmethyl)butyl] carbamate?
The canonical SMILES for [4-(dimethylamino)-2-(triethoxysilylmethyl)butyl] carbamate is CCO[Si](CC(CCN(C)C)COC(N)=O)(OCC)OCC.
What is the InChIKey of [4-(dimethylamino)-2-(triethoxysilylmethyl)butyl] carbamate?
The InChIKey is KBDQPLGPUYBLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O5Si/c1-6-19-22(20-7-2,21-8-3)12-13(9-10-16(4)5)11-18-14(15)17/h13H,6-12H2,1-5H3,(H2,15,17).
What are the key properties of [4-(dimethylamino)-2-(triethoxysilylmethyl)butyl] carbamate?
[4-(dimethylamino)-2-(triethoxysilylmethyl)butyl] carbamate has a molecular weight of 336.51 g/mol, XLogP of 1.70, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)-2-(triethoxysilylmethyl)butyl] carbamate is sourced from PubChem (CID 87369702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).