1-phenyl-N-prop-2-ynyl-3-tri(propan-2-yl)silylprop-2-yn-1-imine

C21H29NSi — CID 11738820

IUPAC1-phenyl-N-prop-2-ynyl-3-tri(propan-2-yl)silylprop-2-yn-1-imine
SMILESC#CC/N=C(\C#C[Si](C(C)C)(C(C)C)C(C)C)c1ccccc1
InChIInChI=1S/C21H29NSi/c1-8-15-22-21(20-12-10-9-11-13-20)14-16-23(17(2)3,18(4)5)19(6)7/h1,9-13,17-19H,15H2,2-7H3/b22-21+
InChIKeyOHLBBTCODZVZKE-QURGRASLSA-N
MW323.56 g/mol
LogP5.33
Rot. Bonds5

About 1-phenyl-N-prop-2-ynyl-3-tri(propan-2-yl)silylprop-2-yn-1-imine

1-phenyl-N-prop-2-ynyl-3-tri(propan-2-yl)silylprop-2-yn-1-imine (PubChem CID 11738820) has the molecular formula C21H29NSi and a molecular weight of 323.56 g/mol. Its IUPAC name is 1-phenyl-N-prop-2-ynyl-3-tri(propan-2-yl)silylprop-2-yn-1-imine.

Molecular Properties

Compound Name1-phenyl-N-prop-2-ynyl-3-tri(propan-2-yl)silylprop-2-yn-1-imine
PubChem CID11738820
Molecular FormulaC21H29NSi
Molecular Weight323.56 g/mol
Exact Mass323.21
IUPAC Name1-phenyl-N-prop-2-ynyl-3-tri(propan-2-yl)silylprop-2-yn-1-imine
SMILESC#CC/N=C(\C#C[Si](C(C)C)(C(C)C)C(C)C)c1ccccc1
InChIInChI=1S/C21H29NSi/c1-8-15-22-21(20-12-10-9-11-13-20)14-16-23(17(2)3,18(4)5)19(6)7/h1,9-13,17-19H,15H2,2-7H3/b22-21+
InChIKeyOHLBBTCODZVZKE-QURGRASLSA-N
XLogP5.33
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.56
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-3,4-diphenyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane
CID 100967832
[(Z)-3-fluoro-4-phenylpent-3-en-1-ynyl]-tri(propan-2-yl)silane
CID 10757817
[(E)-5,6-diphenyl-10-tri(propan-2-yl)silyldec-5-en-1,3,7,9-tetraynyl]-tri(propan-2-yl)silane
CID 102473895
[3-ethynyl-6-phenyl-4-(2-phenylethynyl)hex-3-en-1,5-diynyl]-tri(propan-2-yl)silane
CID 14935770
4-[12-(4-aminophenyl)-6,9-diphenyl-1,14-bis[tri(propan-2-yl)silyl]tetradeca-3,4,5,9,10,11-hexaen-1,7,13-triyn-3-yl]aniline
CID 102335535
3-benzhydrylbut-3-en-1-ynyl-tri(propan-2-yl)silane
CID 102235449
[(Z)-3,4-diethynyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane
CID 14937102
6-phenylhept-6-en-1-ynyl-tri(propan-2-yl)silane
CID 175036788
3-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]prop-2-yn-1-ol
CID 101217736
(E)-1-phenyl-6-tri(propan-2-yl)silylhex-1-en-5-yn-3-ol
CID 164687145
[(3E,5Z)-3,5-bis(methoxymethoxymethyl)-4,6-diphenylhexa-3,5-dien-1-ynyl]-tri(propan-2-yl)silane
CID 134941910
3,3-diphenyl-N-prop-2-ynylprop-2-en-1-imine
CID 22835573

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-prop-2-ynyl-3-tri(propan-2-yl)silylprop-2-yn-1-imine?
The IUPAC name of 1-phenyl-N-prop-2-ynyl-3-tri(propan-2-yl)silylprop-2-yn-1-imine (CID 11738820) is 1-phenyl-N-prop-2-ynyl-3-tri(propan-2-yl)silylprop-2-yn-1-imine.
What is the SMILES notation for 1-phenyl-N-prop-2-ynyl-3-tri(propan-2-yl)silylprop-2-yn-1-imine?
The canonical SMILES for 1-phenyl-N-prop-2-ynyl-3-tri(propan-2-yl)silylprop-2-yn-1-imine is C#CC/N=C(\C#C[Si](C(C)C)(C(C)C)C(C)C)c1ccccc1.
What is the InChIKey of 1-phenyl-N-prop-2-ynyl-3-tri(propan-2-yl)silylprop-2-yn-1-imine?
The InChIKey is OHLBBTCODZVZKE-QURGRASLSA-N. The full InChI is InChI=1S/C21H29NSi/c1-8-15-22-21(20-12-10-9-11-13-20)14-16-23(17(2)3,18(4)5)19(6)7/h1,9-13,17-19H,15H2,2-7H3/b22-21+.
What are the key properties of 1-phenyl-N-prop-2-ynyl-3-tri(propan-2-yl)silylprop-2-yn-1-imine?
1-phenyl-N-prop-2-ynyl-3-tri(propan-2-yl)silylprop-2-yn-1-imine has a molecular weight of 323.56 g/mol, XLogP of 5.33, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-prop-2-ynyl-3-tri(propan-2-yl)silylprop-2-yn-1-imine is sourced from PubChem (CID 11738820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).