ethyl-[2-[[4-tri(propan-2-yl)silyloxycyclohexyl]amino]ethyl]carbamic acid

C20H42N2O3Si — CID 67084983

IUPACethyl-[2-[[4-tri(propan-2-yl)silyloxycyclohexyl]amino]ethyl]carbamic acid
SMILESCCN(CCNC1CCC(O[Si](C(C)C)(C(C)C)C(C)C)CC1)C(=O)O
InChIInChI=1S/C20H42N2O3Si/c1-8-22(20(23)24)14-13-21-18-9-11-19(12-10-18)25-26(15(2)3,16(4)5)17(6)7/h15-19,21H,8-14H2,1-7H3,(H,23,24)
InChIKeyWGDPOEYMYVWKTM-UHFFFAOYSA-N
MW386.65 g/mol
LogP5.08
Rot. Bonds10

About ethyl-[2-[[4-tri(propan-2-yl)silyloxycyclohexyl]amino]ethyl]carbamic acid

ethyl-[2-[[4-tri(propan-2-yl)silyloxycyclohexyl]amino]ethyl]carbamic acid (PubChem CID 67084983) has the molecular formula C20H42N2O3Si and a molecular weight of 386.65 g/mol. Its IUPAC name is ethyl-[2-[[4-tri(propan-2-yl)silyloxycyclohexyl]amino]ethyl]carbamic acid.

Molecular Properties

Compound Nameethyl-[2-[[4-tri(propan-2-yl)silyloxycyclohexyl]amino]ethyl]carbamic acid
PubChem CID67084983
Molecular FormulaC20H42N2O3Si
Molecular Weight386.65 g/mol
Exact Mass386.30
IUPAC Nameethyl-[2-[[4-tri(propan-2-yl)silyloxycyclohexyl]amino]ethyl]carbamic acid
SMILESCCN(CCNC1CCC(O[Si](C(C)C)(C(C)C)C(C)C)CC1)C(=O)O
InChIInChI=1S/C20H42N2O3Si/c1-8-22(20(23)24)14-13-21-18-9-11-19(12-10-18)25-26(15(2)3,16(4)5)17(6)7/h15-19,21H,8-14H2,1-7H3,(H,23,24)
InChIKeyWGDPOEYMYVWKTM-UHFFFAOYSA-N
XLogP5.08
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.65
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl-[2-[[4-tri(propan-2-yl)silyloxycyclohexyl]amino]ethyl]carbamic acid?
The IUPAC name of ethyl-[2-[[4-tri(propan-2-yl)silyloxycyclohexyl]amino]ethyl]carbamic acid (CID 67084983) is ethyl-[2-[[4-tri(propan-2-yl)silyloxycyclohexyl]amino]ethyl]carbamic acid.
What is the SMILES notation for ethyl-[2-[[4-tri(propan-2-yl)silyloxycyclohexyl]amino]ethyl]carbamic acid?
The canonical SMILES for ethyl-[2-[[4-tri(propan-2-yl)silyloxycyclohexyl]amino]ethyl]carbamic acid is CCN(CCNC1CCC(O[Si](C(C)C)(C(C)C)C(C)C)CC1)C(=O)O.
What is the InChIKey of ethyl-[2-[[4-tri(propan-2-yl)silyloxycyclohexyl]amino]ethyl]carbamic acid?
The InChIKey is WGDPOEYMYVWKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42N2O3Si/c1-8-22(20(23)24)14-13-21-18-9-11-19(12-10-18)25-26(15(2)3,16(4)5)17(6)7/h15-19,21H,8-14H2,1-7H3,(H,23,24).
What are the key properties of ethyl-[2-[[4-tri(propan-2-yl)silyloxycyclohexyl]amino]ethyl]carbamic acid?
ethyl-[2-[[4-tri(propan-2-yl)silyloxycyclohexyl]amino]ethyl]carbamic acid has a molecular weight of 386.65 g/mol, XLogP of 5.08, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[2-[[4-tri(propan-2-yl)silyloxycyclohexyl]amino]ethyl]carbamic acid is sourced from PubChem (CID 67084983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).