4-iodo-N,N-bis(trimethylsilyl)but-3-yn-1-amine

C10H22INSi2 — CID 134987910

IUPAC4-iodo-N,N-bis(trimethylsilyl)but-3-yn-1-amine
SMILESC[Si](C)(C)N(CCC#CI)[Si](C)(C)C
InChIInChI=1S/C10H22INSi2/c1-13(2,3)12(14(4,5)6)10-8-7-9-11/h8,10H2,1-6H3
InChIKeyKZHDVKGMGOBOAT-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.74
Rot. Bonds4

About 4-iodo-N,N-bis(trimethylsilyl)but-3-yn-1-amine

4-iodo-N,N-bis(trimethylsilyl)but-3-yn-1-amine (PubChem CID 134987910) has the molecular formula C10H22INSi2 and a molecular weight of 339.37 g/mol. Its IUPAC name is 4-iodo-N,N-bis(trimethylsilyl)but-3-yn-1-amine.

Molecular Properties

Compound Name4-iodo-N,N-bis(trimethylsilyl)but-3-yn-1-amine
PubChem CID134987910
Molecular FormulaC10H22INSi2
Molecular Weight339.37 g/mol
Exact Mass339.03
IUPAC Name4-iodo-N,N-bis(trimethylsilyl)but-3-yn-1-amine
SMILESC[Si](C)(C)N(CCC#CI)[Si](C)(C)C
InChIInChI=1S/C10H22INSi2/c1-13(2,3)12(14(4,5)6)10-8-7-9-11/h8,10H2,1-6H3
InChIKeyKZHDVKGMGOBOAT-UHFFFAOYSA-N
XLogP3.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1,1-Trimethyl-N-(pent-2-yn-1-yl)-N-(trimethylsilyl)silanamine
CID 13161117
N-(Hex-2-yn-1-yl)-1,1,1-trimethyl-N-(trimethylsilyl)silanamine
CID 13329801
N-(But-3-yn-1-yl)-1,1,1-trimethyl-N-(trimethylsilyl)silanamine
CID 13329803
N,N-bis(trimethylsilyl)but-2-yn-1-amine
CID 13161116
N,N-bis(trimethylsilyl)hept-2-yn-1-amine
CID 13161119
N-(2-Iodoethyl)-1,1,1-trimethyl-N-(trimethylsilyl)silanamine
CID 71391462
CID 136794683
CID 136794683

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N,N-bis(trimethylsilyl)but-3-yn-1-amine?
The IUPAC name of 4-iodo-N,N-bis(trimethylsilyl)but-3-yn-1-amine (CID 134987910) is 4-iodo-N,N-bis(trimethylsilyl)but-3-yn-1-amine.
What is the SMILES notation for 4-iodo-N,N-bis(trimethylsilyl)but-3-yn-1-amine?
The canonical SMILES for 4-iodo-N,N-bis(trimethylsilyl)but-3-yn-1-amine is C[Si](C)(C)N(CCC#CI)[Si](C)(C)C.
What is the InChIKey of 4-iodo-N,N-bis(trimethylsilyl)but-3-yn-1-amine?
The InChIKey is KZHDVKGMGOBOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22INSi2/c1-13(2,3)12(14(4,5)6)10-8-7-9-11/h8,10H2,1-6H3.
What are the key properties of 4-iodo-N,N-bis(trimethylsilyl)but-3-yn-1-amine?
4-iodo-N,N-bis(trimethylsilyl)but-3-yn-1-amine has a molecular weight of 339.37 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N,N-bis(trimethylsilyl)but-3-yn-1-amine is sourced from PubChem (CID 134987910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).