2-amino-2-ethyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-one

C14H22N2O2 — CID 116592678

IUPAC2-amino-2-ethyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-one
SMILESCCC(N)(CC)C(=O)c1cncc(OC(C)C)c1
InChIInChI=1S/C14H22N2O2/c1-5-14(15,6-2)13(17)11-7-12(9-16-8-11)18-10(3)4/h7-10H,5-6,15H2,1-4H3
InChIKeyFSAPKJSGDMLYLC-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.57
Rot. Bonds6

About 2-amino-2-ethyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-one

2-amino-2-ethyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-one (PubChem CID 116592678) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-amino-2-ethyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-one.

Molecular Properties

Compound Name2-amino-2-ethyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-one
PubChem CID116592678
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-amino-2-ethyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-one
SMILESCCC(N)(CC)C(=O)c1cncc(OC(C)C)c1
InChIInChI=1S/C14H22N2O2/c1-5-14(15,6-2)13(17)11-7-12(9-16-8-11)18-10(3)4/h7-10H,5-6,15H2,1-4H3
InChIKeyFSAPKJSGDMLYLC-UHFFFAOYSA-N
XLogP2.57
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-methylsulfonyl-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-one
CID 115794538
4-amino-2-methyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-one
CID 116594885
1-(5-propan-2-yloxy-3-pyridinyl)-2-propylpentan-1-one
CID 115794638
1-(5-propan-2-yloxy-3-pyridinyl)prop-2-en-1-one
CID 103453607
3-(ethylamino)-2-methyl-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-one
CID 116565258
7-amino-1-(5-propan-2-yloxy-3-pyridinyl)heptan-1-one
CID 116551477
5-pentan-2-yloxypyridine-3-carboxylic acid
CID 107890063
N-(3-hydroxy-2,2,4-trimethylpentyl)-5-propan-2-yloxypyridine-3-carboxamide
CID 109380782
(5-methylfuran-3-yl)-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 115794614
2-methylhex-5-en-2-yl 5-propan-2-yloxypyridine-3-carboxylate
CID 86796842
(2-amino-5-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 116581347
(3-amino-4-chlorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 116552234

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-one?
The IUPAC name of 2-amino-2-ethyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-one (CID 116592678) is 2-amino-2-ethyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-one.
What is the SMILES notation for 2-amino-2-ethyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-one?
The canonical SMILES for 2-amino-2-ethyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-one is CCC(N)(CC)C(=O)c1cncc(OC(C)C)c1.
What is the InChIKey of 2-amino-2-ethyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-one?
The InChIKey is FSAPKJSGDMLYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-5-14(15,6-2)13(17)11-7-12(9-16-8-11)18-10(3)4/h7-10H,5-6,15H2,1-4H3.
What are the key properties of 2-amino-2-ethyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-one?
2-amino-2-ethyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-one has a molecular weight of 250.34 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-one is sourced from PubChem (CID 116592678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).