tert-butyl N-[(Z)-1-trimethylsilylhex-1-yn-3-ylideneamino]carbamate;carbon dioxide

C15H26N2O4Si — CID 172923396

IUPACtert-butyl N-[(Z)-1-trimethylsilylhex-1-yn-3-ylideneamino]carbamate;carbon dioxide
SMILESCCC/C(C#C[Si](C)(C)C)=N/NC(=O)OC(C)(C)C.O=C=O
InChIInChI=1S/C14H26N2O2Si.CO2/c1-8-9-12(10-11-19(5,6)7)15-16-13(17)18-14(2,3)4;2-1-3/h8-9H2,1-7H3,(H,16,17);/b15-12-;
InChIKeyKIYYRQYJSNUNBW-OBBOLZQKSA-N
MW326.47 g/mol
LogP2.96
Rot. Bonds3

About tert-butyl N-[(Z)-1-trimethylsilylhex-1-yn-3-ylideneamino]carbamate;carbon dioxide

tert-butyl N-[(Z)-1-trimethylsilylhex-1-yn-3-ylideneamino]carbamate;carbon dioxide (PubChem CID 172923396) has the molecular formula C15H26N2O4Si and a molecular weight of 326.47 g/mol. Its IUPAC name is tert-butyl N-[(Z)-1-trimethylsilylhex-1-yn-3-ylideneamino]carbamate;carbon dioxide.

Molecular Properties

Compound Nametert-butyl N-[(Z)-1-trimethylsilylhex-1-yn-3-ylideneamino]carbamate;carbon dioxide
PubChem CID172923396
Molecular FormulaC15H26N2O4Si
Molecular Weight326.47 g/mol
Exact Mass326.17
IUPAC Nametert-butyl N-[(Z)-1-trimethylsilylhex-1-yn-3-ylideneamino]carbamate;carbon dioxide
SMILESCCC/C(C#C[Si](C)(C)C)=N/NC(=O)OC(C)(C)C.O=C=O
InChIInChI=1S/C14H26N2O2Si.CO2/c1-8-9-12(10-11-19(5,6)7)15-16-13(17)18-14(2,3)4;2-1-3/h8-9H2,1-7H3,(H,16,17);/b15-12-;
InChIKeyKIYYRQYJSNUNBW-OBBOLZQKSA-N
XLogP2.96
TPSA84.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(heptadecan-9-ylideneamino)carbamate
CID 169107611
tert-butyl N-[(Z)-butan-2-ylideneamino]carbamate
CID 124927744
tert-butyl N-(3-trimethylsilylprop-2-ynoxy)carbamate
CID 11276581
tert-butyl N-[2-(butanoylamino)ethyl]carbamate
CID 88931890
tert-butyl N-[[(2R)-2,3-dihydroxypropylidene]amino]carbamate
CID 173325186
ethyl 3-(methylamino)-2-[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]propanoate
CID 123532009
tert-butyl N-[(2S)-3-oxohexan-2-yl]carbamate
CID 75406864
tert-butyl N-pentylcarbamate;bis(pentane)
CID 171066640
tert-butyl N-[(Z)-1-(4-methylphenyl)propylideneamino]carbamate
CID 9074587
(2Z)-3-acetamido-2-[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]propanoic acid
CID 88925296
tert-butyl N-[5-(butanoylamino)pentyl]carbamate
CID 90324113
tert-butyl octacosanoate
CID 174872722

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(Z)-1-trimethylsilylhex-1-yn-3-ylideneamino]carbamate;carbon dioxide?
The IUPAC name of tert-butyl N-[(Z)-1-trimethylsilylhex-1-yn-3-ylideneamino]carbamate;carbon dioxide (CID 172923396) is tert-butyl N-[(Z)-1-trimethylsilylhex-1-yn-3-ylideneamino]carbamate;carbon dioxide.
What is the SMILES notation for tert-butyl N-[(Z)-1-trimethylsilylhex-1-yn-3-ylideneamino]carbamate;carbon dioxide?
The canonical SMILES for tert-butyl N-[(Z)-1-trimethylsilylhex-1-yn-3-ylideneamino]carbamate;carbon dioxide is CCC/C(C#C[Si](C)(C)C)=N/NC(=O)OC(C)(C)C.O=C=O.
What is the InChIKey of tert-butyl N-[(Z)-1-trimethylsilylhex-1-yn-3-ylideneamino]carbamate;carbon dioxide?
The InChIKey is KIYYRQYJSNUNBW-OBBOLZQKSA-N. The full InChI is InChI=1S/C14H26N2O2Si.CO2/c1-8-9-12(10-11-19(5,6)7)15-16-13(17)18-14(2,3)4;2-1-3/h8-9H2,1-7H3,(H,16,17);/b15-12-;.
What are the key properties of tert-butyl N-[(Z)-1-trimethylsilylhex-1-yn-3-ylideneamino]carbamate;carbon dioxide?
tert-butyl N-[(Z)-1-trimethylsilylhex-1-yn-3-ylideneamino]carbamate;carbon dioxide has a molecular weight of 326.47 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(Z)-1-trimethylsilylhex-1-yn-3-ylideneamino]carbamate;carbon dioxide is sourced from PubChem (CID 172923396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).