1-[tert-butyl(dimethyl)silyl]oxy-3-[methyl(prop-2-ynyl)amino]-2-[[methyl(prop-2-ynyl)amino]methyl]propan-2-ol

C18H34N2O2Si — CID 135019809

IUPAC1-[tert-butyl(dimethyl)silyl]oxy-3-[methyl(prop-2-ynyl)amino]-2-[[methyl(prop-2-ynyl)amino]methyl]propan-2-ol
SMILESC#CCN(C)CC(O)(CO[Si](C)(C)C(C)(C)C)CN(C)CC#C
InChIInChI=1S/C18H34N2O2Si/c1-10-12-19(6)14-18(21,15-20(7)13-11-2)16-22-23(8,9)17(3,4)5/h1-2,21H,12-16H2,3-9H3
InChIKeyKHBCIGHNIGLHKA-UHFFFAOYSA-N
MW338.57 g/mol
LogP1.87
Rot. Bonds9

About 1-[tert-butyl(dimethyl)silyl]oxy-3-[methyl(prop-2-ynyl)amino]-2-[[methyl(prop-2-ynyl)amino]methyl]propan-2-ol

1-[tert-butyl(dimethyl)silyl]oxy-3-[methyl(prop-2-ynyl)amino]-2-[[methyl(prop-2-ynyl)amino]methyl]propan-2-ol (PubChem CID 135019809) has the molecular formula C18H34N2O2Si and a molecular weight of 338.57 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]oxy-3-[methyl(prop-2-ynyl)amino]-2-[[methyl(prop-2-ynyl)amino]methyl]propan-2-ol.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]oxy-3-[methyl(prop-2-ynyl)amino]-2-[[methyl(prop-2-ynyl)amino]methyl]propan-2-ol
PubChem CID135019809
Molecular FormulaC18H34N2O2Si
Molecular Weight338.57 g/mol
Exact Mass338.24
IUPAC Name1-[tert-butyl(dimethyl)silyl]oxy-3-[methyl(prop-2-ynyl)amino]-2-[[methyl(prop-2-ynyl)amino]methyl]propan-2-ol
SMILESC#CCN(C)CC(O)(CO[Si](C)(C)C(C)(C)C)CN(C)CC#C
InChIInChI=1S/C18H34N2O2Si/c1-10-12-19(6)14-18(21,15-20(7)13-11-2)16-22-23(8,9)17(3,4)5/h1-2,21H,12-16H2,3-9H3
InChIKeyKHBCIGHNIGLHKA-UHFFFAOYSA-N
XLogP1.87
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.57
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[tert-butyl(dimethyl)silyl]oxy-3-[methyl(prop-2-enyl)amino]-2-[[methyl(prop-2-enyl)amino]methyl]propan-2-ol
CID 135019808
1-[tert-butyl(dimethyl)silyl]oxy-2-methylbut-3-yn-2-ol
CID 11095976
(NE)-N-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropylidene]hydroxylamine
CID 121006548
tert-butyl-(2,2-difluoropropoxy)-dimethylsilane
CID 123170783
(2S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-yn-2-ol
CID 20848710
3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropane-1,1-diol
CID 123722416
tert-butyl-hexadec-15-ynoxy-dimethylsilane
CID 23073442
tert-butyl-hex-5-ynoxy-dimethylsilane;hex-5-yn-1-ol
CID 158514976
(E)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpent-2-enenitrile
CID 101169649
tert-butyl-dimethyl-(2-methylbut-3-ynoxy)silane
CID 10584128
2-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]hexan-1-ol
CID 59925784
tert-butyl-(3-ethynoxypropoxy)-dimethylsilane
CID 176737355

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-3-[methyl(prop-2-ynyl)amino]-2-[[methyl(prop-2-ynyl)amino]methyl]propan-2-ol?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-3-[methyl(prop-2-ynyl)amino]-2-[[methyl(prop-2-ynyl)amino]methyl]propan-2-ol (CID 135019809) is 1-[tert-butyl(dimethyl)silyl]oxy-3-[methyl(prop-2-ynyl)amino]-2-[[methyl(prop-2-ynyl)amino]methyl]propan-2-ol.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]oxy-3-[methyl(prop-2-ynyl)amino]-2-[[methyl(prop-2-ynyl)amino]methyl]propan-2-ol?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]oxy-3-[methyl(prop-2-ynyl)amino]-2-[[methyl(prop-2-ynyl)amino]methyl]propan-2-ol is C#CCN(C)CC(O)(CO[Si](C)(C)C(C)(C)C)CN(C)CC#C.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]oxy-3-[methyl(prop-2-ynyl)amino]-2-[[methyl(prop-2-ynyl)amino]methyl]propan-2-ol?
The InChIKey is KHBCIGHNIGLHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O2Si/c1-10-12-19(6)14-18(21,15-20(7)13-11-2)16-22-23(8,9)17(3,4)5/h1-2,21H,12-16H2,3-9H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]oxy-3-[methyl(prop-2-ynyl)amino]-2-[[methyl(prop-2-ynyl)amino]methyl]propan-2-ol?
1-[tert-butyl(dimethyl)silyl]oxy-3-[methyl(prop-2-ynyl)amino]-2-[[methyl(prop-2-ynyl)amino]methyl]propan-2-ol has a molecular weight of 338.57 g/mol, XLogP of 1.87, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]oxy-3-[methyl(prop-2-ynyl)amino]-2-[[methyl(prop-2-ynyl)amino]methyl]propan-2-ol is sourced from PubChem (CID 135019809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).