(E,2S,5S)-6-[tert-butyl(dimethyl)silyl]oxy-N,5-dimethylhex-3-en-2-amine

C14H31NOSi — CID 159076487

IUPAC(E,2S,5S)-6-[tert-butyl(dimethyl)silyl]oxy-N,5-dimethylhex-3-en-2-amine
SMILESCN[C@@H](C)/C=C/[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H31NOSi/c1-12(9-10-13(2)15-6)11-16-17(7,8)14(3,4)5/h9-10,12-13,15H,11H2,1-8H3/b10-9+/t12-,13-/m0/s1
InChIKeyQAVRMGMUNFRYPF-MZWKFTRPSA-N
MW257.49 g/mol
LogP3.81
Rot. Bonds6

About (E,2S,5S)-6-[tert-butyl(dimethyl)silyl]oxy-N,5-dimethylhex-3-en-2-amine

(E,2S,5S)-6-[tert-butyl(dimethyl)silyl]oxy-N,5-dimethylhex-3-en-2-amine (PubChem CID 159076487) has the molecular formula C14H31NOSi and a molecular weight of 257.49 g/mol. Its IUPAC name is (E,2S,5S)-6-[tert-butyl(dimethyl)silyl]oxy-N,5-dimethylhex-3-en-2-amine.

Molecular Properties

Compound Name(E,2S,5S)-6-[tert-butyl(dimethyl)silyl]oxy-N,5-dimethylhex-3-en-2-amine
PubChem CID159076487
Molecular FormulaC14H31NOSi
Molecular Weight257.49 g/mol
Exact Mass257.22
IUPAC Name(E,2S,5S)-6-[tert-butyl(dimethyl)silyl]oxy-N,5-dimethylhex-3-en-2-amine
SMILESCN[C@@H](C)/C=C/[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H31NOSi/c1-12(9-10-13(2)15-6)11-16-17(7,8)14(3,4)5/h9-10,12-13,15H,11H2,1-8H3/b10-9+/t12-,13-/m0/s1
InChIKeyQAVRMGMUNFRYPF-MZWKFTRPSA-N
XLogP3.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.49
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (E,2S,5S)-6-[tert-butyl(dimethyl)silyl]oxy-N,5-dimethylhex-3-en-2-amine?
The IUPAC name of (E,2S,5S)-6-[tert-butyl(dimethyl)silyl]oxy-N,5-dimethylhex-3-en-2-amine (CID 159076487) is (E,2S,5S)-6-[tert-butyl(dimethyl)silyl]oxy-N,5-dimethylhex-3-en-2-amine.
What is the SMILES notation for (E,2S,5S)-6-[tert-butyl(dimethyl)silyl]oxy-N,5-dimethylhex-3-en-2-amine?
The canonical SMILES for (E,2S,5S)-6-[tert-butyl(dimethyl)silyl]oxy-N,5-dimethylhex-3-en-2-amine is CN[C@@H](C)/C=C/[C@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,2S,5S)-6-[tert-butyl(dimethyl)silyl]oxy-N,5-dimethylhex-3-en-2-amine?
The InChIKey is QAVRMGMUNFRYPF-MZWKFTRPSA-N. The full InChI is InChI=1S/C14H31NOSi/c1-12(9-10-13(2)15-6)11-16-17(7,8)14(3,4)5/h9-10,12-13,15H,11H2,1-8H3/b10-9+/t12-,13-/m0/s1.
What are the key properties of (E,2S,5S)-6-[tert-butyl(dimethyl)silyl]oxy-N,5-dimethylhex-3-en-2-amine?
(E,2S,5S)-6-[tert-butyl(dimethyl)silyl]oxy-N,5-dimethylhex-3-en-2-amine has a molecular weight of 257.49 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S,5S)-6-[tert-butyl(dimethyl)silyl]oxy-N,5-dimethylhex-3-en-2-amine is sourced from PubChem (CID 159076487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).