1-(1-aminocyclobutyl)-5-phenylpentan-2-one

C15H21NO — CID 116591176

IUPAC1-(1-aminocyclobutyl)-5-phenylpentan-2-one
SMILESNC1(CC(=O)CCCc2ccccc2)CCC1
InChIInChI=1S/C15H21NO/c16-15(10-5-11-15)12-14(17)9-4-8-13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-12,16H2
InChIKeyKBXQCQNXPBAHSE-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.85
Rot. Bonds6

About 1-(1-aminocyclobutyl)-5-phenylpentan-2-one

1-(1-aminocyclobutyl)-5-phenylpentan-2-one (PubChem CID 116591176) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(1-aminocyclobutyl)-5-phenylpentan-2-one.

Molecular Properties

Compound Name1-(1-aminocyclobutyl)-5-phenylpentan-2-one
PubChem CID116591176
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-(1-aminocyclobutyl)-5-phenylpentan-2-one
SMILESNC1(CC(=O)CCCc2ccccc2)CCC1
InChIInChI=1S/C15H21NO/c16-15(10-5-11-15)12-14(17)9-4-8-13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-12,16H2
InChIKeyKBXQCQNXPBAHSE-UHFFFAOYSA-N
XLogP2.85
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-phenylpropyl 2-(1-aminocyclobutyl)acetate
CID 79845366
1-(1-aminocyclopentyl)-3-phenylpropan-2-one
CID 116578581
2-(1-aminocyclopentyl)-N-methyl-N-(4-phenylbutyl)acetamide
CID 64678540
1,9-diphenylnonan-5-one
CID 23467830
8-amino-1-phenyloctan-4-one
CID 116571907
2-(1-aminocyclobutyl)-N-benzyl-N-ethylacetamide
CID 79851579
4-phenylbutanoyl chloride
CID 11789865
1-(4-aminooxan-4-yl)-4-phenylbutan-1-one
CID 116604543
1-(methylamino)-7-phenylheptan-4-one
CID 116555547
2-(1-aminocyclobutyl)-1-(2-benzylpyrrolidin-1-yl)ethanone
CID 79854779
1-(1-aminocyclobutyl)-3-(3-bromophenyl)propan-2-one
CID 116591315
benzyl 4-phenylbutanoate
CID 11961623

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclobutyl)-5-phenylpentan-2-one?
The IUPAC name of 1-(1-aminocyclobutyl)-5-phenylpentan-2-one (CID 116591176) is 1-(1-aminocyclobutyl)-5-phenylpentan-2-one.
What is the SMILES notation for 1-(1-aminocyclobutyl)-5-phenylpentan-2-one?
The canonical SMILES for 1-(1-aminocyclobutyl)-5-phenylpentan-2-one is NC1(CC(=O)CCCc2ccccc2)CCC1.
What is the InChIKey of 1-(1-aminocyclobutyl)-5-phenylpentan-2-one?
The InChIKey is KBXQCQNXPBAHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c16-15(10-5-11-15)12-14(17)9-4-8-13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-12,16H2.
What are the key properties of 1-(1-aminocyclobutyl)-5-phenylpentan-2-one?
1-(1-aminocyclobutyl)-5-phenylpentan-2-one has a molecular weight of 231.34 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclobutyl)-5-phenylpentan-2-one is sourced from PubChem (CID 116591176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).