(2S)-N-tert-butyl-3-methyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine

C13H29NO — CID 59906418

IUPAC(2S)-N-tert-butyl-3-methyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine
SMILESCC(C)[C@@H](COC(C)(C)C)NC(C)(C)C
InChIInChI=1S/C13H29NO/c1-10(2)11(14-12(3,4)5)9-15-13(6,7)8/h10-11,14H,9H2,1-8H3/t11-/m1/s1
InChIKeyHARWTFDPOVCEBK-LLVKDONJSA-N
MW215.38 g/mol
LogP3.21
Rot. Bonds4

About (2S)-N-tert-butyl-3-methyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine

(2S)-N-tert-butyl-3-methyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine (PubChem CID 59906418) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is (2S)-N-tert-butyl-3-methyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine.

Molecular Properties

Compound Name(2S)-N-tert-butyl-3-methyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine
PubChem CID59906418
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name(2S)-N-tert-butyl-3-methyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine
SMILESCC(C)[C@@H](COC(C)(C)C)NC(C)(C)C
InChIInChI=1S/C13H29NO/c1-10(2)11(14-12(3,4)5)9-15-13(6,7)8/h10-11,14H,9H2,1-8H3/t11-/m1/s1
InChIKeyHARWTFDPOVCEBK-LLVKDONJSA-N
XLogP3.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-tert-butyl-3-methyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine?
The IUPAC name of (2S)-N-tert-butyl-3-methyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine (CID 59906418) is (2S)-N-tert-butyl-3-methyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine.
What is the SMILES notation for (2S)-N-tert-butyl-3-methyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine?
The canonical SMILES for (2S)-N-tert-butyl-3-methyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine is CC(C)[C@@H](COC(C)(C)C)NC(C)(C)C.
What is the InChIKey of (2S)-N-tert-butyl-3-methyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine?
The InChIKey is HARWTFDPOVCEBK-LLVKDONJSA-N. The full InChI is InChI=1S/C13H29NO/c1-10(2)11(14-12(3,4)5)9-15-13(6,7)8/h10-11,14H,9H2,1-8H3/t11-/m1/s1.
What are the key properties of (2S)-N-tert-butyl-3-methyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine?
(2S)-N-tert-butyl-3-methyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine has a molecular weight of 215.38 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-tert-butyl-3-methyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine is sourced from PubChem (CID 59906418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).