(3S)-5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-amine

C11H25NOSi — CID 125493831

IUPAC(3S)-5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-amine
SMILESC=C[C@@H](N)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H25NOSi/c1-7-10(12)8-9-13-14(5,6)11(2,3)4/h7,10H,1,8-9,12H2,2-6H3/t10-/m1/s1
InChIKeyNMMVTAYBLVVNAL-SNVBAGLBSA-N
MW215.41 g/mol
LogP2.91
Rot. Bonds5

About (3S)-5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-amine

(3S)-5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-amine (PubChem CID 125493831) has the molecular formula C11H25NOSi and a molecular weight of 215.41 g/mol. Its IUPAC name is (3S)-5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-amine.

Molecular Properties

Compound Name(3S)-5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-amine
PubChem CID125493831
Molecular FormulaC11H25NOSi
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC Name(3S)-5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-amine
SMILESC=C[C@@H](N)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H25NOSi/c1-7-10(12)8-9-13-14(5,6)11(2,3)4/h7,10H,1,8-9,12H2,2-6H3/t10-/m1/s1
InChIKeyNMMVTAYBLVVNAL-SNVBAGLBSA-N
XLogP2.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.41
LogP ≤ 52.91
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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Related Compounds

(3R)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-amine
CID 121015221
(3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-en-3-ol
CID 11425088
(2R,4R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]hex-5-ene-2-sulfonamide
CID 145359416
tert-butyl-[(2S,3R)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-2,3-dimethylpentoxy]-dimethylsilane
CID 66552565
(3R)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-ol
CID 45101596
[(3S)-3-bromobutoxy]-tert-butyl-dimethylsilane
CID 125499133
tert-butyl-(6-ethenoxyhexoxy)-dimethylsilane
CID 71372427
[(2S,4R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]hex-5-en-2-yl] methanesulfonate
CID 145359169
[(3R)-4-bromo-3-methylbutoxy]-tert-butyl-dimethylsilane
CID 10902026
[(3R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-en-3-yl] prop-2-enoate
CID 16726241
O-[2-[tert-butyl(dimethyl)silyl]oxyethyl]hydroxylamine
CID 23132349
[(3R,4S)-4-azido-3-ethenyl-5-methylhexoxy]-tert-butyl-dimethylsilane
CID 46218527

Frequently Asked Questions

What is the IUPAC name of (3S)-5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-amine?
The IUPAC name of (3S)-5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-amine (CID 125493831) is (3S)-5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-amine.
What is the SMILES notation for (3S)-5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-amine?
The canonical SMILES for (3S)-5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-amine is C=C[C@@H](N)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S)-5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-amine?
The InChIKey is NMMVTAYBLVVNAL-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H25NOSi/c1-7-10(12)8-9-13-14(5,6)11(2,3)4/h7,10H,1,8-9,12H2,2-6H3/t10-/m1/s1.
What are the key properties of (3S)-5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-amine?
(3S)-5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-amine has a molecular weight of 215.41 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-amine is sourced from PubChem (CID 125493831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).