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

C12H27NO — CID 59906428

IUPAC(2S)-N-tert-butyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine
SMILESCC[C@@H](COC(C)(C)C)NC(C)(C)C
InChIInChI=1S/C12H27NO/c1-8-10(13-11(2,3)4)9-14-12(5,6)7/h10,13H,8-9H2,1-7H3/t10-/m0/s1
InChIKeyPLZJQOAAGDEPHQ-JTQLQIEISA-N
MW201.35 g/mol
LogP2.97
Rot. Bonds4

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

(2S)-N-tert-butyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine (PubChem CID 59906428) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is (2S)-N-tert-butyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine.

Molecular Properties

Compound Name(2S)-N-tert-butyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine
PubChem CID59906428
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name(2S)-N-tert-butyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine
SMILESCC[C@@H](COC(C)(C)C)NC(C)(C)C
InChIInChI=1S/C12H27NO/c1-8-10(13-11(2,3)4)9-14-12(5,6)7/h10,13H,8-9H2,1-7H3/t10-/m0/s1
InChIKeyPLZJQOAAGDEPHQ-JTQLQIEISA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.97
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-1-[(2-methylpropan-2-yl)oxy]butan-2-amine?
The IUPAC name of (2S)-N-tert-butyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine (CID 59906428) is (2S)-N-tert-butyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine.
What is the SMILES notation for (2S)-N-tert-butyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine?
The canonical SMILES for (2S)-N-tert-butyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine is CC[C@@H](COC(C)(C)C)NC(C)(C)C.
What is the InChIKey of (2S)-N-tert-butyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine?
The InChIKey is PLZJQOAAGDEPHQ-JTQLQIEISA-N. The full InChI is InChI=1S/C12H27NO/c1-8-10(13-11(2,3)4)9-14-12(5,6)7/h10,13H,8-9H2,1-7H3/t10-/m0/s1.
What are the key properties of (2S)-N-tert-butyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine?
(2S)-N-tert-butyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine has a molecular weight of 201.35 g/mol, XLogP of 2.97, 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-1-[(2-methylpropan-2-yl)oxy]butan-2-amine is sourced from PubChem (CID 59906428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).