(2S,3R)-2-[tert-butyl(dimethyl)silyl]oxy-N-prop-2-enylhex-5-en-3-amine

C15H31NOSi — CID 134860012

IUPAC(2S,3R)-2-[tert-butyl(dimethyl)silyl]oxy-N-prop-2-enylhex-5-en-3-amine
SMILESC=CCN[C@H](CC=C)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H31NOSi/c1-9-11-14(16-12-10-2)13(3)17-18(7,8)15(4,5)6/h9-10,13-14,16H,1-2,11-12H2,3-8H3/t13-,14+/m0/s1
InChIKeyIJMNEBGWLPPVDG-UONOGXRCSA-N
MW269.50 g/mol
LogP4.12
Rot. Bonds8

About (2S,3R)-2-[tert-butyl(dimethyl)silyl]oxy-N-prop-2-enylhex-5-en-3-amine

(2S,3R)-2-[tert-butyl(dimethyl)silyl]oxy-N-prop-2-enylhex-5-en-3-amine (PubChem CID 134860012) has the molecular formula C15H31NOSi and a molecular weight of 269.50 g/mol. Its IUPAC name is (2S,3R)-2-[tert-butyl(dimethyl)silyl]oxy-N-prop-2-enylhex-5-en-3-amine.

Molecular Properties

Compound Name(2S,3R)-2-[tert-butyl(dimethyl)silyl]oxy-N-prop-2-enylhex-5-en-3-amine
PubChem CID134860012
Molecular FormulaC15H31NOSi
Molecular Weight269.50 g/mol
Exact Mass269.22
IUPAC Name(2S,3R)-2-[tert-butyl(dimethyl)silyl]oxy-N-prop-2-enylhex-5-en-3-amine
SMILESC=CCN[C@H](CC=C)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H31NOSi/c1-9-11-14(16-12-10-2)13(3)17-18(7,8)15(4,5)6/h9-10,13-14,16H,1-2,11-12H2,3-8H3/t13-,14+/m0/s1
InChIKeyIJMNEBGWLPPVDG-UONOGXRCSA-N
XLogP4.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.50
LogP ≤ 54.12
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

tert-butyl-[(2S,3S)-3-ethenylhex-5-en-2-yl]oxy-dimethylsilane
CID 134863816
tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxybut-3-enoxy]-dimethylsilane
CID 101029883
tert-butyl N-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-(prop-2-enylamino)butan-2-yl]carbamate
CID 73056650
tert-butyl-[(2S,3R)-2-iodohex-5-en-3-yl]oxy-dimethylsilane
CID 102090847
(2S)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enenitrile
CID 11687136
(4R,6R,8S)-8-[tert-butyl(dimethyl)silyl]oxynon-1-ene-4,6-diol
CID 10935112
3-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-difluoroethylamino)butan-1-ol
CID 169181755
tert-butyl-dimethyl-[(2S,3R)-3-prop-2-ynoxypent-4-en-2-yl]oxysilane
CID 11299800
(3S,4R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylnon-8-en-4-ol
CID 72722963
tert-butyl-[(2S,3R)-3-(methoxymethoxy)pent-4-en-2-yl]oxy-dimethylsilane
CID 10978227
3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoic acid
CID 14110577
(7S)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-2,4,6,6-tetramethyldec-9-en-5-one
CID 87331816

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-[tert-butyl(dimethyl)silyl]oxy-N-prop-2-enylhex-5-en-3-amine?
The IUPAC name of (2S,3R)-2-[tert-butyl(dimethyl)silyl]oxy-N-prop-2-enylhex-5-en-3-amine (CID 134860012) is (2S,3R)-2-[tert-butyl(dimethyl)silyl]oxy-N-prop-2-enylhex-5-en-3-amine.
What is the SMILES notation for (2S,3R)-2-[tert-butyl(dimethyl)silyl]oxy-N-prop-2-enylhex-5-en-3-amine?
The canonical SMILES for (2S,3R)-2-[tert-butyl(dimethyl)silyl]oxy-N-prop-2-enylhex-5-en-3-amine is C=CCN[C@H](CC=C)[C@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S,3R)-2-[tert-butyl(dimethyl)silyl]oxy-N-prop-2-enylhex-5-en-3-amine?
The InChIKey is IJMNEBGWLPPVDG-UONOGXRCSA-N. The full InChI is InChI=1S/C15H31NOSi/c1-9-11-14(16-12-10-2)13(3)17-18(7,8)15(4,5)6/h9-10,13-14,16H,1-2,11-12H2,3-8H3/t13-,14+/m0/s1.
What are the key properties of (2S,3R)-2-[tert-butyl(dimethyl)silyl]oxy-N-prop-2-enylhex-5-en-3-amine?
(2S,3R)-2-[tert-butyl(dimethyl)silyl]oxy-N-prop-2-enylhex-5-en-3-amine has a molecular weight of 269.50 g/mol, XLogP of 4.12, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-[tert-butyl(dimethyl)silyl]oxy-N-prop-2-enylhex-5-en-3-amine is sourced from PubChem (CID 134860012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).