(2S)-1-[2,2-dimethylpropyl(dimethyl)silyl]oxy-3-ethylpent-3-en-2-amine

C14H31NOSi — CID 141382048

IUPAC(2S)-1-[2,2-dimethylpropyl(dimethyl)silyl]oxy-3-ethylpent-3-en-2-amine
SMILESCC=C(CC)[C@H](N)CO[Si](C)(C)CC(C)(C)C
InChIInChI=1S/C14H31NOSi/c1-8-12(9-2)13(15)10-16-17(6,7)11-14(3,4)5/h8,13H,9-11,15H2,1-7H3/t13-/m1/s1
InChIKeyDWQBCFYAOWOZRK-CYBMUJFWSA-N
MW257.49 g/mol
LogP3.94
Rot. Bonds6

About (2S)-1-[2,2-dimethylpropyl(dimethyl)silyl]oxy-3-ethylpent-3-en-2-amine

(2S)-1-[2,2-dimethylpropyl(dimethyl)silyl]oxy-3-ethylpent-3-en-2-amine (PubChem CID 141382048) has the molecular formula C14H31NOSi and a molecular weight of 257.49 g/mol. Its IUPAC name is (2S)-1-[2,2-dimethylpropyl(dimethyl)silyl]oxy-3-ethylpent-3-en-2-amine.

Molecular Properties

Compound Name(2S)-1-[2,2-dimethylpropyl(dimethyl)silyl]oxy-3-ethylpent-3-en-2-amine
PubChem CID141382048
Molecular FormulaC14H31NOSi
Molecular Weight257.49 g/mol
Exact Mass257.22
IUPAC Name(2S)-1-[2,2-dimethylpropyl(dimethyl)silyl]oxy-3-ethylpent-3-en-2-amine
SMILESCC=C(CC)[C@H](N)CO[Si](C)(C)CC(C)(C)C
InChIInChI=1S/C14H31NOSi/c1-8-12(9-2)13(15)10-16-17(6,7)11-14(3,4)5/h8,13H,9-11,15H2,1-7H3/t13-/m1/s1
InChIKeyDWQBCFYAOWOZRK-CYBMUJFWSA-N
XLogP3.94
TPSA35.25 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 ≤ 53.94
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

(Z)-3-ethylpent-3-en-2-amine
CID 154025587
2,2-dimethylpropyl-dimethyl-trimethylsilyloxysilane
CID 20813337
tert-butyl (2R)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropanoate
CID 132916594
1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-amine
CID 53427177
2,3-dimethyl-1-(2-trimethylsilylbutan-2-yloxy)pentan-3-ol
CID 91441933
1-[tert-butyl(dimethyl)silyl]oxy-2-methylpentan-3-one
CID 72819705
2-trimethylsilylethyl 2,4,4-trimethylpentanoate
CID 123363662
1-[ethoxy(dimethyl)silyl]propan-2-amine
CID 57130729
2,2-dimethylpropyl-dimethoxy-methylsilane;bis(2,2-dimethylpropyl-methoxy-dimethylsilane)
CID 158586666
2,2-dimethylpropyl-[2,2-dimethylpropyl(diethoxy)silyl]-diethoxysilane
CID 87552824
(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-amine;hydrochloride
CID 50999200
(2S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropan-1-ol
CID 101238862

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2,2-dimethylpropyl(dimethyl)silyl]oxy-3-ethylpent-3-en-2-amine?
The IUPAC name of (2S)-1-[2,2-dimethylpropyl(dimethyl)silyl]oxy-3-ethylpent-3-en-2-amine (CID 141382048) is (2S)-1-[2,2-dimethylpropyl(dimethyl)silyl]oxy-3-ethylpent-3-en-2-amine.
What is the SMILES notation for (2S)-1-[2,2-dimethylpropyl(dimethyl)silyl]oxy-3-ethylpent-3-en-2-amine?
The canonical SMILES for (2S)-1-[2,2-dimethylpropyl(dimethyl)silyl]oxy-3-ethylpent-3-en-2-amine is CC=C(CC)[C@H](N)CO[Si](C)(C)CC(C)(C)C.
What is the InChIKey of (2S)-1-[2,2-dimethylpropyl(dimethyl)silyl]oxy-3-ethylpent-3-en-2-amine?
The InChIKey is DWQBCFYAOWOZRK-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H31NOSi/c1-8-12(9-2)13(15)10-16-17(6,7)11-14(3,4)5/h8,13H,9-11,15H2,1-7H3/t13-/m1/s1.
What are the key properties of (2S)-1-[2,2-dimethylpropyl(dimethyl)silyl]oxy-3-ethylpent-3-en-2-amine?
(2S)-1-[2,2-dimethylpropyl(dimethyl)silyl]oxy-3-ethylpent-3-en-2-amine has a molecular weight of 257.49 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2,2-dimethylpropyl(dimethyl)silyl]oxy-3-ethylpent-3-en-2-amine is sourced from PubChem (CID 141382048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).