[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-[(2S)-1-(methylamino)propan-2-yl]carbamic acid

C17H36N2O3Si — CID 69263488

IUPAC[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-[(2S)-1-(methylamino)propan-2-yl]carbamic acid
SMILESCNC[C@H](C)N(C(=O)O)C1CCC(O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C17H36N2O3Si/c1-13(12-18-5)19(16(20)21)14-8-10-15(11-9-14)22-23(6,7)17(2,3)4/h13-15,18H,8-12H2,1-7H3,(H,20,21)/t13-,14?,15?/m0/s1
InChIKeyCJNCGVHTQWIHPT-NFOMZHRRSA-N
MW344.57 g/mol
LogP3.91
Rot. Bonds6

About [4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-[(2S)-1-(methylamino)propan-2-yl]carbamic acid

[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-[(2S)-1-(methylamino)propan-2-yl]carbamic acid (PubChem CID 69263488) has the molecular formula C17H36N2O3Si and a molecular weight of 344.57 g/mol. Its IUPAC name is [4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-[(2S)-1-(methylamino)propan-2-yl]carbamic acid.

Molecular Properties

Compound Name[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-[(2S)-1-(methylamino)propan-2-yl]carbamic acid
PubChem CID69263488
Molecular FormulaC17H36N2O3Si
Molecular Weight344.57 g/mol
Exact Mass344.25
IUPAC Name[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-[(2S)-1-(methylamino)propan-2-yl]carbamic acid
SMILESCNC[C@H](C)N(C(=O)O)C1CCC(O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C17H36N2O3Si/c1-13(12-18-5)19(16(20)21)14-8-10-15(11-9-14)22-23(6,7)17(2,3)4/h13-15,18H,8-12H2,1-7H3,(H,20,21)/t13-,14?,15?/m0/s1
InChIKeyCJNCGVHTQWIHPT-NFOMZHRRSA-N
XLogP3.91
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.57
LogP ≤ 53.91
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 [4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-[(2S)-1-(methylamino)propan-2-yl]carbamic acid?
The IUPAC name of [4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-[(2S)-1-(methylamino)propan-2-yl]carbamic acid (CID 69263488) is [4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-[(2S)-1-(methylamino)propan-2-yl]carbamic acid.
What is the SMILES notation for [4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-[(2S)-1-(methylamino)propan-2-yl]carbamic acid?
The canonical SMILES for [4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-[(2S)-1-(methylamino)propan-2-yl]carbamic acid is CNC[C@H](C)N(C(=O)O)C1CCC(O[Si](C)(C)C(C)(C)C)CC1.
What is the InChIKey of [4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-[(2S)-1-(methylamino)propan-2-yl]carbamic acid?
The InChIKey is CJNCGVHTQWIHPT-NFOMZHRRSA-N. The full InChI is InChI=1S/C17H36N2O3Si/c1-13(12-18-5)19(16(20)21)14-8-10-15(11-9-14)22-23(6,7)17(2,3)4/h13-15,18H,8-12H2,1-7H3,(H,20,21)/t13-,14?,15?/m0/s1.
What are the key properties of [4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-[(2S)-1-(methylamino)propan-2-yl]carbamic acid?
[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-[(2S)-1-(methylamino)propan-2-yl]carbamic acid has a molecular weight of 344.57 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-[(2S)-1-(methylamino)propan-2-yl]carbamic acid is sourced from PubChem (CID 69263488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).