N,N-diethyl-3-(trimethylsilylmethyl)but-3-en-1-amine

C12H27NSi — CID 10488793

IUPACN,N-diethyl-3-(trimethylsilylmethyl)but-3-en-1-amine
SMILESC=C(CCN(CC)CC)C[Si](C)(C)C
InChIInChI=1S/C12H27NSi/c1-7-13(8-2)10-9-12(3)11-14(4,5)6/h3,7-11H2,1-2,4-6H3
InChIKeyXMTXUGNNDTXAIR-UHFFFAOYSA-N
MW213.44 g/mol
LogP3.61
Rot. Bonds7

About N,N-diethyl-3-(trimethylsilylmethyl)but-3-en-1-amine

N,N-diethyl-3-(trimethylsilylmethyl)but-3-en-1-amine (PubChem CID 10488793) has the molecular formula C12H27NSi and a molecular weight of 213.44 g/mol. Its IUPAC name is N,N-diethyl-3-(trimethylsilylmethyl)but-3-en-1-amine.

Molecular Properties

Compound NameN,N-diethyl-3-(trimethylsilylmethyl)but-3-en-1-amine
PubChem CID10488793
Molecular FormulaC12H27NSi
Molecular Weight213.44 g/mol
Exact Mass213.19
IUPAC NameN,N-diethyl-3-(trimethylsilylmethyl)but-3-en-1-amine
SMILESC=C(CCN(CC)CC)C[Si](C)(C)C
InChIInChI=1S/C12H27NSi/c1-7-13(8-2)10-9-12(3)11-14(4,5)6/h3,7-11H2,1-2,4-6H3
InChIKeyXMTXUGNNDTXAIR-UHFFFAOYSA-N
XLogP3.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.44
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(trimethylsilylmethyl)but-3-en-1-amine?
The IUPAC name of N,N-diethyl-3-(trimethylsilylmethyl)but-3-en-1-amine (CID 10488793) is N,N-diethyl-3-(trimethylsilylmethyl)but-3-en-1-amine.
What is the SMILES notation for N,N-diethyl-3-(trimethylsilylmethyl)but-3-en-1-amine?
The canonical SMILES for N,N-diethyl-3-(trimethylsilylmethyl)but-3-en-1-amine is C=C(CCN(CC)CC)C[Si](C)(C)C.
What is the InChIKey of N,N-diethyl-3-(trimethylsilylmethyl)but-3-en-1-amine?
The InChIKey is XMTXUGNNDTXAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NSi/c1-7-13(8-2)10-9-12(3)11-14(4,5)6/h3,7-11H2,1-2,4-6H3.
What are the key properties of N,N-diethyl-3-(trimethylsilylmethyl)but-3-en-1-amine?
N,N-diethyl-3-(trimethylsilylmethyl)but-3-en-1-amine has a molecular weight of 213.44 g/mol, XLogP of 3.61, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(trimethylsilylmethyl)but-3-en-1-amine is sourced from PubChem (CID 10488793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).