1-[6-[3-(ethylamino)cyclobutyl]oxy-3-pyridinyl]-4-methylpentan-3-one

C17H26N2O2 — CID 146179421

IUPAC1-[6-[3-(ethylamino)cyclobutyl]oxy-3-pyridinyl]-4-methylpentan-3-one
SMILESCCNC1CC(Oc2ccc(CCC(=O)C(C)C)cn2)C1
InChIInChI=1S/C17H26N2O2/c1-4-18-14-9-15(10-14)21-17-8-6-13(11-19-17)5-7-16(20)12(2)3/h6,8,11-12,14-15,18H,4-5,7,9-10H2,1-3H3
InChIKeyAMJAFWVEPYWKRE-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.76
Rot. Bonds8

About 1-[6-[3-(ethylamino)cyclobutyl]oxy-3-pyridinyl]-4-methylpentan-3-one

1-[6-[3-(ethylamino)cyclobutyl]oxy-3-pyridinyl]-4-methylpentan-3-one (PubChem CID 146179421) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[6-[3-(ethylamino)cyclobutyl]oxy-3-pyridinyl]-4-methylpentan-3-one.

Molecular Properties

Compound Name1-[6-[3-(ethylamino)cyclobutyl]oxy-3-pyridinyl]-4-methylpentan-3-one
PubChem CID146179421
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-[6-[3-(ethylamino)cyclobutyl]oxy-3-pyridinyl]-4-methylpentan-3-one
SMILESCCNC1CC(Oc2ccc(CCC(=O)C(C)C)cn2)C1
InChIInChI=1S/C17H26N2O2/c1-4-18-14-9-15(10-14)21-17-8-6-13(11-19-17)5-7-16(20)12(2)3/h6,8,11-12,14-15,18H,4-5,7,9-10H2,1-3H3
InChIKeyAMJAFWVEPYWKRE-UHFFFAOYSA-N
XLogP2.76
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[6-[3-(ethylamino)cyclobutyl]oxy-3-pyridinyl]-4-methylpentan-3-one with MolForge

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Related Compounds

ethane;4-[6-[3-(methylamino)cyclobutyl]oxy-3-pyridinyl]butan-2-one;molecular hydrogen
CID 142409721
N-ethyl-3-[(4-propan-2-yl-2-pyridinyl)oxy]cyclobutan-1-amine
CID 155215060
1-(4-cyclopropyloxyphenyl)-4-methylpentan-3-one
CID 114520119
3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]-N-[(2S)-3-methylbutan-2-yl]cyclobutan-1-amine
CID 146548076
N-[3-[[5-(3-methyl-2-oxobutoxy)-2-pyridinyl]oxy]cyclobutyl]methanesulfinothioamide
CID 146520687
1-[3-[3-(ethylamino)cyclobutyl]oxy-5-fluorophenyl]-4-methyl-7-[[3-[4-(3-methyl-2-oxobutyl)phenoxy]cyclobutyl]amino]octan-3-one
CID 134582786
1-[4-[3-(ethylamino)cyclobutyl]oxyphenyl]propan-2-one;molecular hydrogen
CID 142407732
1-[[6-[3-(1-sulfanylethylamino)cyclobutyl]oxy-3-pyridinyl]oxy]butan-2-one
CID 155321947
N-[(6-cycloheptyloxy-3-pyridinyl)methyl]ethanamine
CID 62298054
ethane;1-[[6-[3-(methylamino)cyclobutyl]oxy-3-pyridinyl]oxy]propan-2-one
CID 142368291
1-[3-fluoro-5-[3-(1-sulfanylethylamino)cyclobutyl]oxyphenyl]-4-methylpentan-3-one
CID 135216912
S-methyl 3-[2-[3-(propan-2-ylamino)cyclobutyl]oxy-4-pyridinyl]propanethioate
CID 167293098

Frequently Asked Questions

What is the IUPAC name of 1-[6-[3-(ethylamino)cyclobutyl]oxy-3-pyridinyl]-4-methylpentan-3-one?
The IUPAC name of 1-[6-[3-(ethylamino)cyclobutyl]oxy-3-pyridinyl]-4-methylpentan-3-one (CID 146179421) is 1-[6-[3-(ethylamino)cyclobutyl]oxy-3-pyridinyl]-4-methylpentan-3-one.
What is the SMILES notation for 1-[6-[3-(ethylamino)cyclobutyl]oxy-3-pyridinyl]-4-methylpentan-3-one?
The canonical SMILES for 1-[6-[3-(ethylamino)cyclobutyl]oxy-3-pyridinyl]-4-methylpentan-3-one is CCNC1CC(Oc2ccc(CCC(=O)C(C)C)cn2)C1.
What is the InChIKey of 1-[6-[3-(ethylamino)cyclobutyl]oxy-3-pyridinyl]-4-methylpentan-3-one?
The InChIKey is AMJAFWVEPYWKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-18-14-9-15(10-14)21-17-8-6-13(11-19-17)5-7-16(20)12(2)3/h6,8,11-12,14-15,18H,4-5,7,9-10H2,1-3H3.
What are the key properties of 1-[6-[3-(ethylamino)cyclobutyl]oxy-3-pyridinyl]-4-methylpentan-3-one?
1-[6-[3-(ethylamino)cyclobutyl]oxy-3-pyridinyl]-4-methylpentan-3-one has a molecular weight of 290.41 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[3-(ethylamino)cyclobutyl]oxy-3-pyridinyl]-4-methylpentan-3-one is sourced from PubChem (CID 146179421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).