(3S,3aR,6R,6aS)-N-benzyl-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-amine

C19H31NO3Si — CID 90286030

IUPAC(3S,3aR,6R,6aS)-N-benzyl-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-amine
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2NCc1ccccc1
InChIInChI=1S/C19H31NO3Si/c1-19(2,3)24(4,5)23-16-13-22-17-15(12-21-18(16)17)20-11-14-9-7-6-8-10-14/h6-10,15-18,20H,11-13H2,1-5H3/t15-,16+,17+,18+/m0/s1
InChIKeyXFMCYTNWWMYMNJ-BSDSXHPESA-N
MW349.55 g/mol
LogP3.33
Rot. Bonds5

About (3S,3aR,6R,6aS)-N-benzyl-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-amine

(3S,3aR,6R,6aS)-N-benzyl-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-amine (PubChem CID 90286030) has the molecular formula C19H31NO3Si and a molecular weight of 349.55 g/mol. Its IUPAC name is (3S,3aR,6R,6aS)-N-benzyl-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-amine.

Molecular Properties

Compound Name(3S,3aR,6R,6aS)-N-benzyl-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-amine
PubChem CID90286030
Molecular FormulaC19H31NO3Si
Molecular Weight349.55 g/mol
Exact Mass349.21
IUPAC Name(3S,3aR,6R,6aS)-N-benzyl-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-amine
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2NCc1ccccc1
InChIInChI=1S/C19H31NO3Si/c1-19(2,3)24(4,5)23-16-13-22-17-15(12-21-18(16)17)20-11-14-9-7-6-8-10-14/h6-10,15-18,20H,11-13H2,1-5H3/t15-,16+,17+,18+/m0/s1
InChIKeyXFMCYTNWWMYMNJ-BSDSXHPESA-N
XLogP3.33
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.55
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3S,3aR,6R,6aS)-N-benzyl-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-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

2-[[3-(benzylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetamide
CID 73133588
2-[[(3R,3aR,6R,6aR)-3-(benzylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetamide
CID 162796412
[(3S,3aS,6S,6aS)-3-(benzylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-ethylcarbamate
CID 162986917
(1R,2R,3R)-N-benzyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-phenylcyclohexan-1-amine
CID 22885654
[(3R,3aR,6R,6aR)-3-[(4-phenylphenyl)methylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-cyclohexylcarbamate
CID 163165552
(2S,3S,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2-phenylmethoxyoxan-3-ol
CID 14160927
(3R,4S,5S,6R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4,5-bis(phenylmethoxy)cycloheptan-1-ol
CID 101106224
[3-[(4-phenylphenyl)methylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-acetylphenyl)carbamate
CID 73133692
trans-(1S,2R)-N-benzyl-2-tert-butylcyclopropan-1-amine
CID 174043100
(3S,3aR,6S,6aR)-3-N-benzyl-6-N-[4-(2-methoxyphenyl)pyrimidin-2-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diamine
CID 11913021
[(3R,3aR,6R,6aR)-3-[[4-(dimethylamino)phenyl]methylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-phenoxyphenyl)carbamate
CID 162882413
2-[(3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]ethanol
CID 90042024

Frequently Asked Questions

What is the IUPAC name of (3S,3aR,6R,6aS)-N-benzyl-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-amine?
The IUPAC name of (3S,3aR,6R,6aS)-N-benzyl-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-amine (CID 90286030) is (3S,3aR,6R,6aS)-N-benzyl-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-amine.
What is the SMILES notation for (3S,3aR,6R,6aS)-N-benzyl-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-amine?
The canonical SMILES for (3S,3aR,6R,6aS)-N-benzyl-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-amine is CC(C)(C)[Si](C)(C)O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2NCc1ccccc1.
What is the InChIKey of (3S,3aR,6R,6aS)-N-benzyl-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-amine?
The InChIKey is XFMCYTNWWMYMNJ-BSDSXHPESA-N. The full InChI is InChI=1S/C19H31NO3Si/c1-19(2,3)24(4,5)23-16-13-22-17-15(12-21-18(16)17)20-11-14-9-7-6-8-10-14/h6-10,15-18,20H,11-13H2,1-5H3/t15-,16+,17+,18+/m0/s1.
What are the key properties of (3S,3aR,6R,6aS)-N-benzyl-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-amine?
(3S,3aR,6R,6aS)-N-benzyl-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-amine has a molecular weight of 349.55 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3aR,6R,6aS)-N-benzyl-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-amine is sourced from PubChem (CID 90286030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).