(2R)-2-amino-1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one

C13H24N2O — CID 104928969

IUPAC(2R)-2-amino-1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one
SMILESCC[C@@H](N)C(=O)N1CC=C(C(C)(C)C)CC1
InChIInChI=1S/C13H24N2O/c1-5-11(14)12(16)15-8-6-10(7-9-15)13(2,3)4/h6,11H,5,7-9,14H2,1-4H3/t11-/m1/s1
InChIKeyAMLWOWMIHDNHJJ-LLVKDONJSA-N
MW224.35 g/mol
LogP1.93
Rot. Bonds2

About (2R)-2-amino-1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one

(2R)-2-amino-1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one (PubChem CID 104928969) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is (2R)-2-amino-1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one
PubChem CID104928969
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name(2R)-2-amino-1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one
SMILESCC[C@@H](N)C(=O)N1CC=C(C(C)(C)C)CC1
InChIInChI=1S/C13H24N2O/c1-5-11(14)12(16)15-8-6-10(7-9-15)13(2,3)4/h6,11H,5,7-9,14H2,1-4H3/t11-/m1/s1
InChIKeyAMLWOWMIHDNHJJ-LLVKDONJSA-N
XLogP1.93
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one?
The IUPAC name of (2R)-2-amino-1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one (CID 104928969) is (2R)-2-amino-1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one.
What is the SMILES notation for (2R)-2-amino-1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one?
The canonical SMILES for (2R)-2-amino-1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one is CC[C@@H](N)C(=O)N1CC=C(C(C)(C)C)CC1.
What is the InChIKey of (2R)-2-amino-1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one?
The InChIKey is AMLWOWMIHDNHJJ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H24N2O/c1-5-11(14)12(16)15-8-6-10(7-9-15)13(2,3)4/h6,11H,5,7-9,14H2,1-4H3/t11-/m1/s1.
What are the key properties of (2R)-2-amino-1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one?
(2R)-2-amino-1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one has a molecular weight of 224.35 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one is sourced from PubChem (CID 104928969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).