N,N-dimethyl-3-tri(propan-2-yl)silylprop-2-ynamide

C14H27NOSi — CID 171037487

IUPACN,N-dimethyl-3-tri(propan-2-yl)silylprop-2-ynamide
SMILESCC(C)[Si](C#CC(=O)N(C)C)(C(C)C)C(C)C
InChIInChI=1S/C14H27NOSi/c1-11(2)17(12(3)4,13(5)6)10-9-14(16)15(7)8/h11-13H,1-8H3
InChIKeyZVONRFQXVJFATF-UHFFFAOYSA-N
MW253.46 g/mol
LogP3.30
Rot. Bonds3

About N,N-dimethyl-3-tri(propan-2-yl)silylprop-2-ynamide

N,N-dimethyl-3-tri(propan-2-yl)silylprop-2-ynamide (PubChem CID 171037487) has the molecular formula C14H27NOSi and a molecular weight of 253.46 g/mol. Its IUPAC name is N,N-dimethyl-3-tri(propan-2-yl)silylprop-2-ynamide.

Molecular Properties

Compound NameN,N-dimethyl-3-tri(propan-2-yl)silylprop-2-ynamide
PubChem CID171037487
Molecular FormulaC14H27NOSi
Molecular Weight253.46 g/mol
Exact Mass253.19
IUPAC NameN,N-dimethyl-3-tri(propan-2-yl)silylprop-2-ynamide
SMILESCC(C)[Si](C#CC(=O)N(C)C)(C(C)C)C(C)C
InChIInChI=1S/C14H27NOSi/c1-11(2)17(12(3)4,13(5)6)10-9-14(16)15(7)8/h11-13H,1-8H3
InChIKeyZVONRFQXVJFATF-UHFFFAOYSA-N
XLogP3.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.46
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-tri(propan-2-yl)silylprop-2-ynamide?
The IUPAC name of N,N-dimethyl-3-tri(propan-2-yl)silylprop-2-ynamide (CID 171037487) is N,N-dimethyl-3-tri(propan-2-yl)silylprop-2-ynamide.
What is the SMILES notation for N,N-dimethyl-3-tri(propan-2-yl)silylprop-2-ynamide?
The canonical SMILES for N,N-dimethyl-3-tri(propan-2-yl)silylprop-2-ynamide is CC(C)[Si](C#CC(=O)N(C)C)(C(C)C)C(C)C.
What is the InChIKey of N,N-dimethyl-3-tri(propan-2-yl)silylprop-2-ynamide?
The InChIKey is ZVONRFQXVJFATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NOSi/c1-11(2)17(12(3)4,13(5)6)10-9-14(16)15(7)8/h11-13H,1-8H3.
What are the key properties of N,N-dimethyl-3-tri(propan-2-yl)silylprop-2-ynamide?
N,N-dimethyl-3-tri(propan-2-yl)silylprop-2-ynamide has a molecular weight of 253.46 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-tri(propan-2-yl)silylprop-2-ynamide is sourced from PubChem (CID 171037487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).