(E)-N-[(1R)-1-naphthalen-1-ylethyl]-6-trimethylsilylhex-2-en-4-yn-1-amine

C21H27NSi — CID 25005662

IUPAC(E)-N-[(1R)-1-naphthalen-1-ylethyl]-6-trimethylsilylhex-2-en-4-yn-1-amine
SMILESC[C@@H](NC/C=C/C#CC[Si](C)(C)C)c1cccc2ccccc12
InChIInChI=1S/C21H27NSi/c1-18(22-16-9-5-6-10-17-23(2,3)4)20-15-11-13-19-12-7-8-14-21(19)20/h5,7-9,11-15,18,22H,16-17H2,1-4H3/b9-5+/t18-/m1/s1
InChIKeyIYSMDTIIWSVXOX-QKYXPGDISA-N
MW321.54 g/mol
LogP5.39
Rot. Bonds5

About (E)-N-[(1R)-1-naphthalen-1-ylethyl]-6-trimethylsilylhex-2-en-4-yn-1-amine

(E)-N-[(1R)-1-naphthalen-1-ylethyl]-6-trimethylsilylhex-2-en-4-yn-1-amine (PubChem CID 25005662) has the molecular formula C21H27NSi and a molecular weight of 321.54 g/mol. Its IUPAC name is (E)-N-[(1R)-1-naphthalen-1-ylethyl]-6-trimethylsilylhex-2-en-4-yn-1-amine.

Molecular Properties

Compound Name(E)-N-[(1R)-1-naphthalen-1-ylethyl]-6-trimethylsilylhex-2-en-4-yn-1-amine
PubChem CID25005662
Molecular FormulaC21H27NSi
Molecular Weight321.54 g/mol
Exact Mass321.19
IUPAC Name(E)-N-[(1R)-1-naphthalen-1-ylethyl]-6-trimethylsilylhex-2-en-4-yn-1-amine
SMILESC[C@@H](NC/C=C/C#CC[Si](C)(C)C)c1cccc2ccccc12
InChIInChI=1S/C21H27NSi/c1-18(22-16-9-5-6-10-17-23(2,3)4)20-15-11-13-19-12-7-8-14-21(19)20/h5,7-9,11-15,18,22H,16-17H2,1-4H3/b9-5+/t18-/m1/s1
InChIKeyIYSMDTIIWSVXOX-QKYXPGDISA-N
XLogP5.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.54
LogP ≤ 55.39
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 (E)-N-[(1R)-1-naphthalen-1-ylethyl]-6-trimethylsilylhex-2-en-4-yn-1-amine?
The IUPAC name of (E)-N-[(1R)-1-naphthalen-1-ylethyl]-6-trimethylsilylhex-2-en-4-yn-1-amine (CID 25005662) is (E)-N-[(1R)-1-naphthalen-1-ylethyl]-6-trimethylsilylhex-2-en-4-yn-1-amine.
What is the SMILES notation for (E)-N-[(1R)-1-naphthalen-1-ylethyl]-6-trimethylsilylhex-2-en-4-yn-1-amine?
The canonical SMILES for (E)-N-[(1R)-1-naphthalen-1-ylethyl]-6-trimethylsilylhex-2-en-4-yn-1-amine is C[C@@H](NC/C=C/C#CC[Si](C)(C)C)c1cccc2ccccc12.
What is the InChIKey of (E)-N-[(1R)-1-naphthalen-1-ylethyl]-6-trimethylsilylhex-2-en-4-yn-1-amine?
The InChIKey is IYSMDTIIWSVXOX-QKYXPGDISA-N. The full InChI is InChI=1S/C21H27NSi/c1-18(22-16-9-5-6-10-17-23(2,3)4)20-15-11-13-19-12-7-8-14-21(19)20/h5,7-9,11-15,18,22H,16-17H2,1-4H3/b9-5+/t18-/m1/s1.
What are the key properties of (E)-N-[(1R)-1-naphthalen-1-ylethyl]-6-trimethylsilylhex-2-en-4-yn-1-amine?
(E)-N-[(1R)-1-naphthalen-1-ylethyl]-6-trimethylsilylhex-2-en-4-yn-1-amine has a molecular weight of 321.54 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(1R)-1-naphthalen-1-ylethyl]-6-trimethylsilylhex-2-en-4-yn-1-amine is sourced from PubChem (CID 25005662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).