N-tert-butyl-1-phenyl-N-trimethylsilyloxybut-3-en-1-amine

C17H29NOSi — CID 14867117

IUPACN-tert-butyl-1-phenyl-N-trimethylsilyloxybut-3-en-1-amine
SMILESC=CCC(c1ccccc1)N(O[Si](C)(C)C)C(C)(C)C
InChIInChI=1S/C17H29NOSi/c1-8-12-16(15-13-10-9-11-14-15)18(17(2,3)4)19-20(5,6)7/h8-11,13-14,16H,1,12H2,2-7H3
InChIKeyOZGRVRJAKKNSTL-UHFFFAOYSA-N
MW291.51 g/mol
LogP5.17
Rot. Bonds6

About N-tert-butyl-1-phenyl-N-trimethylsilyloxybut-3-en-1-amine

N-tert-butyl-1-phenyl-N-trimethylsilyloxybut-3-en-1-amine (PubChem CID 14867117) has the molecular formula C17H29NOSi and a molecular weight of 291.51 g/mol. Its IUPAC name is N-tert-butyl-1-phenyl-N-trimethylsilyloxybut-3-en-1-amine.

Molecular Properties

Compound NameN-tert-butyl-1-phenyl-N-trimethylsilyloxybut-3-en-1-amine
PubChem CID14867117
Molecular FormulaC17H29NOSi
Molecular Weight291.51 g/mol
Exact Mass291.20
IUPAC NameN-tert-butyl-1-phenyl-N-trimethylsilyloxybut-3-en-1-amine
SMILESC=CCC(c1ccccc1)N(O[Si](C)(C)C)C(C)(C)C
InChIInChI=1S/C17H29NOSi/c1-8-12-16(15-13-10-9-11-14-15)18(17(2,3)4)19-20(5,6)7/h8-11,13-14,16H,1,12H2,2-7H3
InChIKeyOZGRVRJAKKNSTL-UHFFFAOYSA-N
XLogP5.17
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.51
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Silanamine, N-(phenylmethyl)-N,1,1,1-tetramethyl-
CID 26949
2,2,5-Trimethyl-4-phenyl-3-azahexane-3-nitroxide
CID 10900145
(S)-Methoxymethyl-(1-phenyl-ethyl)-trimethylsilanylmethyl-amine
CID 21704761
Oxifentorex
CID 176171
(R)-N-(methoxymethyl)-1-phenyl-N-((trimethylsilyl)methyl)ethanamine
CID 10705920
N-methyl-N-[(1R)-1-phenylethyl]penta-2,3-dien-1-amine
CID 14142538
Methyl-penta-2,3-dienyl-phenethyl-amine;oxalic acid
CID 14142539
Unii-8JY6P22uvd
CID 150978
Benzenemethanamine, N-hydroxy-N-propyl-
CID 11052003
Benzenedimethanaminium, ar-dodecyl-ar,N,N,N,N',N',N'-heptamethyl-, chloride (1:2), mixt. with ar-dodecyl-ar,N,N,N-tetramethylbenzenemethanaminium chloride (1:1)
CID 53422584
Hydroxylamine, methyl-(1-phenylethyl)-
CID 570702
(s)-N-isopropyl-N-methyl-alpha-methylbenzylamine
CID 13481015

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-phenyl-N-trimethylsilyloxybut-3-en-1-amine?
The IUPAC name of N-tert-butyl-1-phenyl-N-trimethylsilyloxybut-3-en-1-amine (CID 14867117) is N-tert-butyl-1-phenyl-N-trimethylsilyloxybut-3-en-1-amine.
What is the SMILES notation for N-tert-butyl-1-phenyl-N-trimethylsilyloxybut-3-en-1-amine?
The canonical SMILES for N-tert-butyl-1-phenyl-N-trimethylsilyloxybut-3-en-1-amine is C=CCC(c1ccccc1)N(O[Si](C)(C)C)C(C)(C)C.
What is the InChIKey of N-tert-butyl-1-phenyl-N-trimethylsilyloxybut-3-en-1-amine?
The InChIKey is OZGRVRJAKKNSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NOSi/c1-8-12-16(15-13-10-9-11-14-15)18(17(2,3)4)19-20(5,6)7/h8-11,13-14,16H,1,12H2,2-7H3.
What are the key properties of N-tert-butyl-1-phenyl-N-trimethylsilyloxybut-3-en-1-amine?
N-tert-butyl-1-phenyl-N-trimethylsilyloxybut-3-en-1-amine has a molecular weight of 291.51 g/mol, XLogP of 5.17, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-phenyl-N-trimethylsilyloxybut-3-en-1-amine is sourced from PubChem (CID 14867117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).