N-butyl-N-(3-trimethylsilylprop-2-ynyl)butan-1-amine

C14H29NSi — CID 46938786

IUPACN-butyl-N-(3-trimethylsilylprop-2-ynyl)butan-1-amine
SMILESCCCCN(CC#C[Si](C)(C)C)CCCC
InChIInChI=1S/C14H29NSi/c1-6-8-11-15(12-9-7-2)13-10-14-16(3,4)5/h6-9,11-13H2,1-5H3
InChIKeyZUGJGGFRJIVCTD-UHFFFAOYSA-N
MW239.48 g/mol
LogP3.77
Rot. Bonds7

About N-butyl-N-(3-trimethylsilylprop-2-ynyl)butan-1-amine

N-butyl-N-(3-trimethylsilylprop-2-ynyl)butan-1-amine (PubChem CID 46938786) has the molecular formula C14H29NSi and a molecular weight of 239.48 g/mol. Its IUPAC name is N-butyl-N-(3-trimethylsilylprop-2-ynyl)butan-1-amine.

Molecular Properties

Compound NameN-butyl-N-(3-trimethylsilylprop-2-ynyl)butan-1-amine
PubChem CID46938786
Molecular FormulaC14H29NSi
Molecular Weight239.48 g/mol
Exact Mass239.21
IUPAC NameN-butyl-N-(3-trimethylsilylprop-2-ynyl)butan-1-amine
SMILESCCCCN(CC#C[Si](C)(C)C)CCCC
InChIInChI=1S/C14H29NSi/c1-6-8-11-15(12-9-7-2)13-10-14-16(3,4)5/h6-9,11-13H2,1-5H3
InChIKeyZUGJGGFRJIVCTD-UHFFFAOYSA-N
XLogP3.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.48
LogP ≤ 53.77
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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Related Compounds

1-Dimethylamino-3-(trimethylsilyl)-2-propyne
CID 2758527
Piperidine, 1-(3-(triethylsilyl)-2-propynyl)-
CID 213747
1-[3-(Trimethylsilyl)prop-2-yn-1-yl]pyrrolidine
CID 13781410
n-Butyl-n-[(trimethylsilyl)methyl]butan-1-amine
CID 262891
Dibutylaminomethyl-silane
CID 87531366
N,N-diethyl-3-(trimethylsilyl)propyl-amine
CID 91623298
Ethynamine, N,N-diethyl-2-(trimethylsilyl)-
CID 11435179
1-(3-(Trimethylsilyl)prop-2-yn-1-yl)piperidine
CID 12471195
N,N-Diethyl-4-(trimethylsilyl)but-3-yn-1-amine
CID 12489197
N,N-diethyl-3-trimethylsilylprop-1-yn-1-amine
CID 12563800
Triethyl[3-(trimethylsilyl)propyl]ammonium iodide
CID 13141493
N,N-diethyl-1-trimethylsilylpentan-1-amine
CID 15111603

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(3-trimethylsilylprop-2-ynyl)butan-1-amine?
The IUPAC name of N-butyl-N-(3-trimethylsilylprop-2-ynyl)butan-1-amine (CID 46938786) is N-butyl-N-(3-trimethylsilylprop-2-ynyl)butan-1-amine.
What is the SMILES notation for N-butyl-N-(3-trimethylsilylprop-2-ynyl)butan-1-amine?
The canonical SMILES for N-butyl-N-(3-trimethylsilylprop-2-ynyl)butan-1-amine is CCCCN(CC#C[Si](C)(C)C)CCCC.
What is the InChIKey of N-butyl-N-(3-trimethylsilylprop-2-ynyl)butan-1-amine?
The InChIKey is ZUGJGGFRJIVCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NSi/c1-6-8-11-15(12-9-7-2)13-10-14-16(3,4)5/h6-9,11-13H2,1-5H3.
What are the key properties of N-butyl-N-(3-trimethylsilylprop-2-ynyl)butan-1-amine?
N-butyl-N-(3-trimethylsilylprop-2-ynyl)butan-1-amine has a molecular weight of 239.48 g/mol, XLogP of 3.77, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(3-trimethylsilylprop-2-ynyl)butan-1-amine is sourced from PubChem (CID 46938786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).