(2S,3S,4R)-N-tert-butyl-2,4,5-tris[(2-methylpropan-2-yl)oxy]-3-propan-2-yloxypentan-1-amine

C24H51NO4 — CID 170690101

IUPAC(2S,3S,4R)-N-tert-butyl-2,4,5-tris[(2-methylpropan-2-yl)oxy]-3-propan-2-yloxypentan-1-amine
SMILESCC(C)O[C@@H]([C@H](CNC(C)(C)C)OC(C)(C)C)[C@@H](COC(C)(C)C)OC(C)(C)C
InChIInChI=1S/C24H51NO4/c1-17(2)27-20(18(28-23(9,10)11)15-25-21(3,4)5)19(29-24(12,13)14)16-26-22(6,7)8/h17-20,25H,15-16H2,1-14H3/t18-,19+,20-/m0/s1
InChIKeyNZHMSKMHIZZEAK-ZCNNSNEGSA-N
MW417.68 g/mol
LogP5.35
Rot. Bonds10

About (2S,3S,4R)-N-tert-butyl-2,4,5-tris[(2-methylpropan-2-yl)oxy]-3-propan-2-yloxypentan-1-amine

(2S,3S,4R)-N-tert-butyl-2,4,5-tris[(2-methylpropan-2-yl)oxy]-3-propan-2-yloxypentan-1-amine (PubChem CID 170690101) has the molecular formula C24H51NO4 and a molecular weight of 417.68 g/mol. Its IUPAC name is (2S,3S,4R)-N-tert-butyl-2,4,5-tris[(2-methylpropan-2-yl)oxy]-3-propan-2-yloxypentan-1-amine.

Molecular Properties

Compound Name(2S,3S,4R)-N-tert-butyl-2,4,5-tris[(2-methylpropan-2-yl)oxy]-3-propan-2-yloxypentan-1-amine
PubChem CID170690101
Molecular FormulaC24H51NO4
Molecular Weight417.68 g/mol
Exact Mass417.38
IUPAC Name(2S,3S,4R)-N-tert-butyl-2,4,5-tris[(2-methylpropan-2-yl)oxy]-3-propan-2-yloxypentan-1-amine
SMILESCC(C)O[C@@H]([C@H](CNC(C)(C)C)OC(C)(C)C)[C@@H](COC(C)(C)C)OC(C)(C)C
InChIInChI=1S/C24H51NO4/c1-17(2)27-20(18(28-23(9,10)11)15-25-21(3,4)5)19(29-24(12,13)14)16-26-22(6,7)8/h17-20,25H,15-16H2,1-14H3/t18-,19+,20-/m0/s1
InChIKeyNZHMSKMHIZZEAK-ZCNNSNEGSA-N
XLogP5.35
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.68
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R)-N-tert-butyl-2,4,5-tris[(2-methylpropan-2-yl)oxy]-3-propan-2-yloxypentan-1-amine?
The IUPAC name of (2S,3S,4R)-N-tert-butyl-2,4,5-tris[(2-methylpropan-2-yl)oxy]-3-propan-2-yloxypentan-1-amine (CID 170690101) is (2S,3S,4R)-N-tert-butyl-2,4,5-tris[(2-methylpropan-2-yl)oxy]-3-propan-2-yloxypentan-1-amine.
What is the SMILES notation for (2S,3S,4R)-N-tert-butyl-2,4,5-tris[(2-methylpropan-2-yl)oxy]-3-propan-2-yloxypentan-1-amine?
The canonical SMILES for (2S,3S,4R)-N-tert-butyl-2,4,5-tris[(2-methylpropan-2-yl)oxy]-3-propan-2-yloxypentan-1-amine is CC(C)O[C@@H]([C@H](CNC(C)(C)C)OC(C)(C)C)[C@@H](COC(C)(C)C)OC(C)(C)C.
What is the InChIKey of (2S,3S,4R)-N-tert-butyl-2,4,5-tris[(2-methylpropan-2-yl)oxy]-3-propan-2-yloxypentan-1-amine?
The InChIKey is NZHMSKMHIZZEAK-ZCNNSNEGSA-N. The full InChI is InChI=1S/C24H51NO4/c1-17(2)27-20(18(28-23(9,10)11)15-25-21(3,4)5)19(29-24(12,13)14)16-26-22(6,7)8/h17-20,25H,15-16H2,1-14H3/t18-,19+,20-/m0/s1.
What are the key properties of (2S,3S,4R)-N-tert-butyl-2,4,5-tris[(2-methylpropan-2-yl)oxy]-3-propan-2-yloxypentan-1-amine?
(2S,3S,4R)-N-tert-butyl-2,4,5-tris[(2-methylpropan-2-yl)oxy]-3-propan-2-yloxypentan-1-amine has a molecular weight of 417.68 g/mol, XLogP of 5.35, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R)-N-tert-butyl-2,4,5-tris[(2-methylpropan-2-yl)oxy]-3-propan-2-yloxypentan-1-amine is sourced from PubChem (CID 170690101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).