[(3S)-4-cyclohexyl-3-(2-trimethylsilylethylamino)-2-trimethylsilyloxybutyl]carbamic acid

C19H42N2O3Si2 — CID 66862632

IUPAC[(3S)-4-cyclohexyl-3-(2-trimethylsilylethylamino)-2-trimethylsilyloxybutyl]carbamic acid
SMILESC[Si](C)(C)CCN[C@@H](CC1CCCCC1)C(CNC(=O)O)O[Si](C)(C)C
InChIInChI=1S/C19H42N2O3Si2/c1-25(2,3)13-12-20-17(14-16-10-8-7-9-11-16)18(15-21-19(22)23)24-26(4,5)6/h16-18,20-21H,7-15H2,1-6H3,(H,22,23)/t17-,18?/m0/s1
InChIKeyLVUROFAWPYSZDM-ZENAZSQFSA-N
MW402.73 g/mol
LogP4.74
Rot. Bonds11

About [(3S)-4-cyclohexyl-3-(2-trimethylsilylethylamino)-2-trimethylsilyloxybutyl]carbamic acid

[(3S)-4-cyclohexyl-3-(2-trimethylsilylethylamino)-2-trimethylsilyloxybutyl]carbamic acid (PubChem CID 66862632) has the molecular formula C19H42N2O3Si2 and a molecular weight of 402.73 g/mol. Its IUPAC name is [(3S)-4-cyclohexyl-3-(2-trimethylsilylethylamino)-2-trimethylsilyloxybutyl]carbamic acid.

Molecular Properties

Compound Name[(3S)-4-cyclohexyl-3-(2-trimethylsilylethylamino)-2-trimethylsilyloxybutyl]carbamic acid
PubChem CID66862632
Molecular FormulaC19H42N2O3Si2
Molecular Weight402.73 g/mol
Exact Mass402.27
IUPAC Name[(3S)-4-cyclohexyl-3-(2-trimethylsilylethylamino)-2-trimethylsilyloxybutyl]carbamic acid
SMILESC[Si](C)(C)CCN[C@@H](CC1CCCCC1)C(CNC(=O)O)O[Si](C)(C)C
InChIInChI=1S/C19H42N2O3Si2/c1-25(2,3)13-12-20-17(14-16-10-8-7-9-11-16)18(15-21-19(22)23)24-26(4,5)6/h16-18,20-21H,7-15H2,1-6H3,(H,22,23)/t17-,18?/m0/s1
InChIKeyLVUROFAWPYSZDM-ZENAZSQFSA-N
XLogP4.74
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.73
LogP ≤ 54.74
H-Bond Donors ≤ 53
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 [(3S)-4-cyclohexyl-3-(2-trimethylsilylethylamino)-2-trimethylsilyloxybutyl]carbamic acid?
The IUPAC name of [(3S)-4-cyclohexyl-3-(2-trimethylsilylethylamino)-2-trimethylsilyloxybutyl]carbamic acid (CID 66862632) is [(3S)-4-cyclohexyl-3-(2-trimethylsilylethylamino)-2-trimethylsilyloxybutyl]carbamic acid.
What is the SMILES notation for [(3S)-4-cyclohexyl-3-(2-trimethylsilylethylamino)-2-trimethylsilyloxybutyl]carbamic acid?
The canonical SMILES for [(3S)-4-cyclohexyl-3-(2-trimethylsilylethylamino)-2-trimethylsilyloxybutyl]carbamic acid is C[Si](C)(C)CCN[C@@H](CC1CCCCC1)C(CNC(=O)O)O[Si](C)(C)C.
What is the InChIKey of [(3S)-4-cyclohexyl-3-(2-trimethylsilylethylamino)-2-trimethylsilyloxybutyl]carbamic acid?
The InChIKey is LVUROFAWPYSZDM-ZENAZSQFSA-N. The full InChI is InChI=1S/C19H42N2O3Si2/c1-25(2,3)13-12-20-17(14-16-10-8-7-9-11-16)18(15-21-19(22)23)24-26(4,5)6/h16-18,20-21H,7-15H2,1-6H3,(H,22,23)/t17-,18?/m0/s1.
What are the key properties of [(3S)-4-cyclohexyl-3-(2-trimethylsilylethylamino)-2-trimethylsilyloxybutyl]carbamic acid?
[(3S)-4-cyclohexyl-3-(2-trimethylsilylethylamino)-2-trimethylsilyloxybutyl]carbamic acid has a molecular weight of 402.73 g/mol, XLogP of 4.74, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-4-cyclohexyl-3-(2-trimethylsilylethylamino)-2-trimethylsilyloxybutyl]carbamic acid is sourced from PubChem (CID 66862632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).