(2R,3R)-3-trimethylsilylhex-4-yn-2-amine

C9H19NSi — CID 131168914

IUPAC(2R,3R)-3-trimethylsilylhex-4-yn-2-amine
SMILESCC#C[C@H]([C@@H](C)N)[Si](C)(C)C
InChIInChI=1S/C9H19NSi/c1-6-7-9(8(2)10)11(3,4)5/h8-9H,10H2,1-5H3/t8-,9-/m1/s1
InChIKeyUUGFPUWOJVJONO-RKDXNWHRSA-N
MW169.34 g/mol
LogP2.07
Rot. Bonds2

About (2R,3R)-3-trimethylsilylhex-4-yn-2-amine

(2R,3R)-3-trimethylsilylhex-4-yn-2-amine (PubChem CID 131168914) has the molecular formula C9H19NSi and a molecular weight of 169.34 g/mol. Its IUPAC name is (2R,3R)-3-trimethylsilylhex-4-yn-2-amine.

Molecular Properties

Compound Name(2R,3R)-3-trimethylsilylhex-4-yn-2-amine
PubChem CID131168914
Molecular FormulaC9H19NSi
Molecular Weight169.34 g/mol
Exact Mass169.13
IUPAC Name(2R,3R)-3-trimethylsilylhex-4-yn-2-amine
SMILESCC#C[C@H]([C@@H](C)N)[Si](C)(C)C
InChIInChI=1S/C9H19NSi/c1-6-7-9(8(2)10)11(3,4)5/h8-9H,10H2,1-5H3/t8-,9-/m1/s1
InChIKeyUUGFPUWOJVJONO-RKDXNWHRSA-N
XLogP2.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.34
LogP ≤ 52.07
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-trimethylsilylhex-4-yn-2-amine?
The IUPAC name of (2R,3R)-3-trimethylsilylhex-4-yn-2-amine (CID 131168914) is (2R,3R)-3-trimethylsilylhex-4-yn-2-amine.
What is the SMILES notation for (2R,3R)-3-trimethylsilylhex-4-yn-2-amine?
The canonical SMILES for (2R,3R)-3-trimethylsilylhex-4-yn-2-amine is CC#C[C@H]([C@@H](C)N)[Si](C)(C)C.
What is the InChIKey of (2R,3R)-3-trimethylsilylhex-4-yn-2-amine?
The InChIKey is UUGFPUWOJVJONO-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H19NSi/c1-6-7-9(8(2)10)11(3,4)5/h8-9H,10H2,1-5H3/t8-,9-/m1/s1.
What are the key properties of (2R,3R)-3-trimethylsilylhex-4-yn-2-amine?
(2R,3R)-3-trimethylsilylhex-4-yn-2-amine has a molecular weight of 169.34 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-trimethylsilylhex-4-yn-2-amine is sourced from PubChem (CID 131168914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).