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

C13H20N2O2 — CID 116594885

IUPAC4-amino-2-methyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-one
SMILESCC(C)Oc1cncc(C(=O)C(C)CCN)c1
InChIInChI=1S/C13H20N2O2/c1-9(2)17-12-6-11(7-15-8-12)13(16)10(3)4-5-14/h6-10H,4-5,14H2,1-3H3
InChIKeyRWVILNFWGVTDQJ-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.04
Rot. Bonds6

About 4-amino-2-methyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-one

4-amino-2-methyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-one (PubChem CID 116594885) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-amino-2-methyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-one.

Molecular Properties

Compound Name4-amino-2-methyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-one
PubChem CID116594885
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name4-amino-2-methyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-one
SMILESCC(C)Oc1cncc(C(=O)C(C)CCN)c1
InChIInChI=1S/C13H20N2O2/c1-9(2)17-12-6-11(7-15-8-12)13(16)10(3)4-5-14/h6-10H,4-5,14H2,1-3H3
InChIKeyRWVILNFWGVTDQJ-UHFFFAOYSA-N
XLogP2.04
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

1-(5-propan-2-yloxy-3-pyridinyl)-2-propylpentan-1-one
CID 115794638
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
2-amino-2-ethyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-one
CID 116592678
2-methyl-1-(5-propoxy-3-pyridinyl)pentan-1-one
CID 115794017
1-(5-propan-2-yloxy-3-pyridinyl)prop-2-en-1-one
CID 103453607
2-methoxy-2-phenyl-1-(5-propan-2-yloxy-3-pyridinyl)ethanone
CID 116751567
2-methylhex-5-en-2-yl 5-propan-2-yloxypyridine-3-carboxylate
CID 86796842
5-amino-1-(5-fluoro-3-pyridinyl)-2-methylpentan-1-one
CID 116613600
4-amino-2-methyl-1-pyridin-4-ylbutan-1-one
CID 116916055
2-(2,3-difluorophenyl)-1-(5-propan-2-yloxy-3-pyridinyl)ethanone
CID 115794720
(5-methylfuran-3-yl)-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 115794614

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-one?
The IUPAC name of 4-amino-2-methyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-one (CID 116594885) is 4-amino-2-methyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-one.
What is the SMILES notation for 4-amino-2-methyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-one?
The canonical SMILES for 4-amino-2-methyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-one is CC(C)Oc1cncc(C(=O)C(C)CCN)c1.
What is the InChIKey of 4-amino-2-methyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-one?
The InChIKey is RWVILNFWGVTDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9(2)17-12-6-11(7-15-8-12)13(16)10(3)4-5-14/h6-10H,4-5,14H2,1-3H3.
What are the key properties of 4-amino-2-methyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-one?
4-amino-2-methyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-one has a molecular weight of 236.31 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-one is sourced from PubChem (CID 116594885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).