2-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-5-en-3-amine

C18H31NOSi — CID 72790607

IUPAC2-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-5-en-3-amine
SMILESC=CCC(N)C(Cc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H31NOSi/c1-7-11-16(19)17(14-15-12-9-8-10-13-15)20-21(5,6)18(2,3)4/h7-10,12-13,16-17H,1,11,14,19H2,2-6H3
InChIKeyYIHZZDDWPNDQMS-UHFFFAOYSA-N
MW305.54 g/mol
LogP4.52
Rot. Bonds7

About 2-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-5-en-3-amine

2-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-5-en-3-amine (PubChem CID 72790607) has the molecular formula C18H31NOSi and a molecular weight of 305.54 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-5-en-3-amine.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-5-en-3-amine
PubChem CID72790607
Molecular FormulaC18H31NOSi
Molecular Weight305.54 g/mol
Exact Mass305.22
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-5-en-3-amine
SMILESC=CCC(N)C(Cc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H31NOSi/c1-7-11-16(19)17(14-15-12-9-8-10-13-15)20-21(5,6)18(2,3)4/h7-10,12-13,16-17H,1,11,14,19H2,2-6H3
InChIKeyYIHZZDDWPNDQMS-UHFFFAOYSA-N
XLogP4.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.54
LogP ≤ 54.52
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

2-Methoxy-3-phenylpropan-1-amine
CID 45074956
(2S,3R)-2-amino-1-phenyloctadecan-3-ol
CID 118735812
(1R,2S)-1-{[tert-Butyl(dimethyl)silyl]oxy}-N-methyl-1-phenylpropan-2-amine
CID 14572256
(2S,3R)-2-amino-1-phenyldodecan-3-ol
CID 118735811
Vitroprocine H
CID 156581199
(r)-2-[(t-Butyldimethylsilyl) oxy]-1-phenyl-ethan-1-amine
CID 11791653
[(2S)-2-amino-2-phenylethoxy](tert-butyl)dimethylsilane
CID 14335550
2-Phenyl-2-trimethylsiloxyethylamine
CID 13970587
3-Amino-1-phenylbutan-2-ol hydrochloride
CID 71756864
3-Methoxy-1-(3-methylphenyl)butan-2-amine
CID 79616788
2-Methoxy-3-(4-methylphenyl)propan-1-amine hydrochloride
CID 165890246
(1R,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluorophenyl)cyclopentan-1-amine
CID 102251714

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-5-en-3-amine?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-5-en-3-amine (CID 72790607) is 2-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-5-en-3-amine.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-5-en-3-amine?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-5-en-3-amine is C=CCC(N)C(Cc1ccccc1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-5-en-3-amine?
The InChIKey is YIHZZDDWPNDQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NOSi/c1-7-11-16(19)17(14-15-12-9-8-10-13-15)20-21(5,6)18(2,3)4/h7-10,12-13,16-17H,1,11,14,19H2,2-6H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-5-en-3-amine?
2-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-5-en-3-amine has a molecular weight of 305.54 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-5-en-3-amine is sourced from PubChem (CID 72790607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).