[2-(dimethylamino)-1-triethoxysilylpentan-3-yl] carbamate

C14H32N2O5Si — CID 175246866

IUPAC[2-(dimethylamino)-1-triethoxysilylpentan-3-yl] carbamate
SMILESCCO[Si](CC(C(CC)OC(N)=O)N(C)C)(OCC)OCC
InChIInChI=1S/C14H32N2O5Si/c1-7-13(21-14(15)17)12(16(5)6)11-22(18-8-2,19-9-3)20-10-4/h12-13H,7-11H2,1-6H3,(H2,15,17)
InChIKeyPTSYMLZGBPKVQO-UHFFFAOYSA-N
MW336.51 g/mol
LogP1.84
Rot. Bonds12

About [2-(dimethylamino)-1-triethoxysilylpentan-3-yl] carbamate

[2-(dimethylamino)-1-triethoxysilylpentan-3-yl] carbamate (PubChem CID 175246866) has the molecular formula C14H32N2O5Si and a molecular weight of 336.51 g/mol. Its IUPAC name is [2-(dimethylamino)-1-triethoxysilylpentan-3-yl] carbamate.

Molecular Properties

Compound Name[2-(dimethylamino)-1-triethoxysilylpentan-3-yl] carbamate
PubChem CID175246866
Molecular FormulaC14H32N2O5Si
Molecular Weight336.51 g/mol
Exact Mass336.21
IUPAC Name[2-(dimethylamino)-1-triethoxysilylpentan-3-yl] carbamate
SMILESCCO[Si](CC(C(CC)OC(N)=O)N(C)C)(OCC)OCC
InChIInChI=1S/C14H32N2O5Si/c1-7-13(21-14(15)17)12(16(5)6)11-22(18-8-2,19-9-3)20-10-4/h12-13H,7-11H2,1-6H3,(H2,15,17)
InChIKeyPTSYMLZGBPKVQO-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
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
[4-(dimethylamino)-2-(triethoxysilylmethyl)butyl] carbamate
CID 87369702
[1-(dimethylamino)-5-triethoxysilylpentan-3-yl] carbamate
CID 87369705
1-triethoxysilylpropan-2-amine
CID 10236113
triethoxy-(3-ethyl-2-methylpentyl)silane
CID 18696416
carbamic acid;triethoxy(propyl)silane
CID 175441799
[methyl-di(propan-2-yl)silyl] 2-methyl-3-triethoxysilylpropanoate
CID 151495490
3-iodoheptan-4-yl carbamate
CID 87824448
ethyl carbamate;3-triethoxysilylpropan-1-amine
CID 90205560
[butan-2-yl-bis(2-methylpropyl)silyl] 2-methyl-3-triethoxysilylpropanoate
CID 155659500
methyl triethoxysilylmethyl carbonate
CID 139978043
[(2S)-1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl] carbamate
CID 170171988

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-1-triethoxysilylpentan-3-yl] carbamate?
The IUPAC name of [2-(dimethylamino)-1-triethoxysilylpentan-3-yl] carbamate (CID 175246866) is [2-(dimethylamino)-1-triethoxysilylpentan-3-yl] carbamate.
What is the SMILES notation for [2-(dimethylamino)-1-triethoxysilylpentan-3-yl] carbamate?
The canonical SMILES for [2-(dimethylamino)-1-triethoxysilylpentan-3-yl] carbamate is CCO[Si](CC(C(CC)OC(N)=O)N(C)C)(OCC)OCC.
What is the InChIKey of [2-(dimethylamino)-1-triethoxysilylpentan-3-yl] carbamate?
The InChIKey is PTSYMLZGBPKVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O5Si/c1-7-13(21-14(15)17)12(16(5)6)11-22(18-8-2,19-9-3)20-10-4/h12-13H,7-11H2,1-6H3,(H2,15,17).
What are the key properties of [2-(dimethylamino)-1-triethoxysilylpentan-3-yl] carbamate?
[2-(dimethylamino)-1-triethoxysilylpentan-3-yl] carbamate has a molecular weight of 336.51 g/mol, XLogP of 1.84, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-1-triethoxysilylpentan-3-yl] carbamate is sourced from PubChem (CID 175246866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).