2-(1-aminocyclobutyl)-1-(5-propoxy-3-pyridinyl)ethanone

C14H20N2O2 — CID 116591204

IUPAC2-(1-aminocyclobutyl)-1-(5-propoxy-3-pyridinyl)ethanone
SMILESCCCOc1cncc(C(=O)CC2(N)CCC2)c1
InChIInChI=1S/C14H20N2O2/c1-2-6-18-12-7-11(9-16-10-12)13(17)8-14(15)4-3-5-14/h7,9-10H,2-6,8,15H2,1H3
InChIKeyUFZITWWTNXXXOK-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.32
Rot. Bonds6

About 2-(1-aminocyclobutyl)-1-(5-propoxy-3-pyridinyl)ethanone

2-(1-aminocyclobutyl)-1-(5-propoxy-3-pyridinyl)ethanone (PubChem CID 116591204) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-1-(5-propoxy-3-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-1-(5-propoxy-3-pyridinyl)ethanone
PubChem CID116591204
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(1-aminocyclobutyl)-1-(5-propoxy-3-pyridinyl)ethanone
SMILESCCCOc1cncc(C(=O)CC2(N)CCC2)c1
InChIInChI=1S/C14H20N2O2/c1-2-6-18-12-7-11(9-16-10-12)13(17)8-14(15)4-3-5-14/h7,9-10H,2-6,8,15H2,1H3
InChIKeyUFZITWWTNXXXOK-UHFFFAOYSA-N
XLogP2.32
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-aminocyclobutyl)-1-(4-propoxyphenyl)ethanone
CID 116591254
(1-ethoxycyclopentyl)-(5-propoxy-3-pyridinyl)methanone
CID 116747881
2-(propan-2-ylamino)-1-(5-propoxy-3-pyridinyl)ethanone
CID 116554859
4-hydroxy-1-(5-propoxy-3-pyridinyl)butan-1-one
CID 106677594
(4,4-difluorocyclohexyl)-(5-propoxy-3-pyridinyl)methanone
CID 105124282
2-hydroxy-2-methyl-1-(5-propoxy-3-pyridinyl)propan-1-one
CID 103446165
2,2-difluoro-1-(5-propoxy-3-pyridinyl)ethanone
CID 112574299
3-(aminomethyl)-5-methyl-1-(5-propoxy-3-pyridinyl)hexan-1-one
CID 116576849
3-(4-methylphenyl)-1-(5-propoxy-3-pyridinyl)propan-1-one
CID 105124335
2-methyl-1-(5-propoxy-3-pyridinyl)pentan-1-one
CID 115794017
2,3-dihydro-1H-inden-5-yl-(5-propoxy-3-pyridinyl)methanone
CID 115794025
propyl 2-(1-aminocyclobutyl)acetate
CID 79846380

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclobutyl)-1-(5-propoxy-3-pyridinyl)ethanone?
The IUPAC name of 2-(1-aminocyclobutyl)-1-(5-propoxy-3-pyridinyl)ethanone (CID 116591204) is 2-(1-aminocyclobutyl)-1-(5-propoxy-3-pyridinyl)ethanone.
What is the SMILES notation for 2-(1-aminocyclobutyl)-1-(5-propoxy-3-pyridinyl)ethanone?
The canonical SMILES for 2-(1-aminocyclobutyl)-1-(5-propoxy-3-pyridinyl)ethanone is CCCOc1cncc(C(=O)CC2(N)CCC2)c1.
What is the InChIKey of 2-(1-aminocyclobutyl)-1-(5-propoxy-3-pyridinyl)ethanone?
The InChIKey is UFZITWWTNXXXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-6-18-12-7-11(9-16-10-12)13(17)8-14(15)4-3-5-14/h7,9-10H,2-6,8,15H2,1H3.
What are the key properties of 2-(1-aminocyclobutyl)-1-(5-propoxy-3-pyridinyl)ethanone?
2-(1-aminocyclobutyl)-1-(5-propoxy-3-pyridinyl)ethanone has a molecular weight of 248.33 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclobutyl)-1-(5-propoxy-3-pyridinyl)ethanone is sourced from PubChem (CID 116591204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).