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

C14H26N2O — CID 104928967

IUPAC(2R)-2-amino-1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-methylbutan-1-one
SMILESCC(C)[C@@H](N)C(=O)N1CC=C(C(C)(C)C)CC1
InChIInChI=1S/C14H26N2O/c1-10(2)12(15)13(17)16-8-6-11(7-9-16)14(3,4)5/h6,10,12H,7-9,15H2,1-5H3/t12-/m1/s1
InChIKeyOOEPAHLGROAYNZ-GFCCVEGCSA-N
MW238.37 g/mol
LogP2.17
Rot. Bonds2

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

(2R)-2-amino-1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-methylbutan-1-one (PubChem CID 104928967) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is (2R)-2-amino-1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-methylbutan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-methylbutan-1-one
PubChem CID104928967
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name(2R)-2-amino-1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-methylbutan-1-one
SMILESCC(C)[C@@H](N)C(=O)N1CC=C(C(C)(C)C)CC1
InChIInChI=1S/C14H26N2O/c1-10(2)12(15)13(17)16-8-6-11(7-9-16)14(3,4)5/h6,10,12H,7-9,15H2,1-5H3/t12-/m1/s1
InChIKeyOOEPAHLGROAYNZ-GFCCVEGCSA-N
XLogP2.17
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R)-2-amino-1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-methylbutan-1-one with MolForge

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Related Compounds

2-amino-3-methyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one
CID 114409422
(2R)-2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-methylbutan-1-one
CID 104921259
4-tert-butyl-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 115774578
4-tert-butyl-N-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 115774734
(2S)-2-[(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]propanoic acid
CID 104929060
(2R)-2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-3-methylbutan-1-one
CID 104921204
4-amino-1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-methoxybutan-1-one
CID 103156825
(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-cyclobutylmethanone
CID 130310982
(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106981337
2-amino-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-one
CID 114489804
5-[(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]hexanoic acid
CID 114460562
(2S)-2-[(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]butanoic acid
CID 104929075

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-methylbutan-1-one?
The IUPAC name of (2R)-2-amino-1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-methylbutan-1-one (CID 104928967) is (2R)-2-amino-1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-methylbutan-1-one.
What is the SMILES notation for (2R)-2-amino-1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-methylbutan-1-one?
The canonical SMILES for (2R)-2-amino-1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-methylbutan-1-one is CC(C)[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)-3-methylbutan-1-one?
The InChIKey is OOEPAHLGROAYNZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H26N2O/c1-10(2)12(15)13(17)16-8-6-11(7-9-16)14(3,4)5/h6,10,12H,7-9,15H2,1-5H3/t12-/m1/s1.
What are the key properties of (2R)-2-amino-1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-methylbutan-1-one?
(2R)-2-amino-1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-methylbutan-1-one has a molecular weight of 238.37 g/mol, XLogP of 2.17, 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)-3-methylbutan-1-one is sourced from PubChem (CID 104928967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).