(2S,3R)-N-benzyl-3-[tert-butyl(dimethyl)silyl]oxyoctadecan-2-amine

C31H59NOSi — CID 46237115

IUPAC(2S,3R)-N-benzyl-3-[tert-butyl(dimethyl)silyl]oxyoctadecan-2-amine
SMILESCCCCCCCCCCCCCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)NCc1ccccc1
InChIInChI=1S/C31H59NOSi/c1-8-9-10-11-12-13-14-15-16-17-18-19-23-26-30(33-34(6,7)31(3,4)5)28(2)32-27-29-24-21-20-22-25-29/h20-22,24-25,28,30,32H,8-19,23,26-27H2,1-7H3/t28-,30+/m0/s1
InChIKeyKXWOETMJJOBGSY-MFMCTBQISA-N
MW489.91 g/mol
LogP10.04
Rot. Bonds20

About (2S,3R)-N-benzyl-3-[tert-butyl(dimethyl)silyl]oxyoctadecan-2-amine

(2S,3R)-N-benzyl-3-[tert-butyl(dimethyl)silyl]oxyoctadecan-2-amine (PubChem CID 46237115) has the molecular formula C31H59NOSi and a molecular weight of 489.91 g/mol. Its IUPAC name is (2S,3R)-N-benzyl-3-[tert-butyl(dimethyl)silyl]oxyoctadecan-2-amine.

Molecular Properties

Compound Name(2S,3R)-N-benzyl-3-[tert-butyl(dimethyl)silyl]oxyoctadecan-2-amine
PubChem CID46237115
Molecular FormulaC31H59NOSi
Molecular Weight489.91 g/mol
Exact Mass489.44
IUPAC Name(2S,3R)-N-benzyl-3-[tert-butyl(dimethyl)silyl]oxyoctadecan-2-amine
SMILESCCCCCCCCCCCCCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)NCc1ccccc1
InChIInChI=1S/C31H59NOSi/c1-8-9-10-11-12-13-14-15-16-17-18-19-23-26-30(33-34(6,7)31(3,4)5)28(2)32-27-29-24-21-20-22-25-29/h20-22,24-25,28,30,32H,8-19,23,26-27H2,1-7H3/t28-,30+/m0/s1
InChIKeyKXWOETMJJOBGSY-MFMCTBQISA-N
XLogP10.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.91
LogP ≤ 510.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (2S,3R)-N-benzyl-3-[tert-butyl(dimethyl)silyl]oxyoctadecan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E,2S,5R)-N-benzyl-2-[tert-butyl(dimethyl)silyl]oxynon-3-en-5-amine
CID 11371881
tert-butyl 2-(benzylamino)decanoate
CID 162010682
2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxypentanoic acid
CID 174601955
N-benzylnonadecan-2-amine;hydrochloride
CID 173191574
(2R)-N-benzylheptan-2-amine
CID 14923313
N-benzyltridecan-6-amine
CID 166644944
benzyl (2S,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hexyl-5-hydroxyhexadecanoate
CID 14847011
benzyl N-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxydodecan-2-yl]-N-(phenylmethoxycarbonylamino)carbamate
CID 138977333
(2R,3S,4S)-N-benzyl-2-[tert-butyl(dimethyl)silyl]oxy-4-(2-trimethylsilylethynyl)heptan-3-amine
CID 15530571
benzyl (2R,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hexyl-5-phenylmethoxyhexadecanoate
CID 58361991
(4R,5S)-N-benzyl-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxypentadecyl]-2,2-dimethyl-1,3-dioxan-5-amine
CID 11497779
tert-butyl-dimethyl-pentadecan-2-yloxysilane
CID 6430239

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-benzyl-3-[tert-butyl(dimethyl)silyl]oxyoctadecan-2-amine?
The IUPAC name of (2S,3R)-N-benzyl-3-[tert-butyl(dimethyl)silyl]oxyoctadecan-2-amine (CID 46237115) is (2S,3R)-N-benzyl-3-[tert-butyl(dimethyl)silyl]oxyoctadecan-2-amine.
What is the SMILES notation for (2S,3R)-N-benzyl-3-[tert-butyl(dimethyl)silyl]oxyoctadecan-2-amine?
The canonical SMILES for (2S,3R)-N-benzyl-3-[tert-butyl(dimethyl)silyl]oxyoctadecan-2-amine is CCCCCCCCCCCCCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)NCc1ccccc1.
What is the InChIKey of (2S,3R)-N-benzyl-3-[tert-butyl(dimethyl)silyl]oxyoctadecan-2-amine?
The InChIKey is KXWOETMJJOBGSY-MFMCTBQISA-N. The full InChI is InChI=1S/C31H59NOSi/c1-8-9-10-11-12-13-14-15-16-17-18-19-23-26-30(33-34(6,7)31(3,4)5)28(2)32-27-29-24-21-20-22-25-29/h20-22,24-25,28,30,32H,8-19,23,26-27H2,1-7H3/t28-,30+/m0/s1.
What are the key properties of (2S,3R)-N-benzyl-3-[tert-butyl(dimethyl)silyl]oxyoctadecan-2-amine?
(2S,3R)-N-benzyl-3-[tert-butyl(dimethyl)silyl]oxyoctadecan-2-amine has a molecular weight of 489.91 g/mol, XLogP of 10.04, 20 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-benzyl-3-[tert-butyl(dimethyl)silyl]oxyoctadecan-2-amine is sourced from PubChem (CID 46237115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).