3-amino-1-(3-cyclobutylphenyl)pentan-1-one

C15H21NO — CID 114607770

IUPAC3-amino-1-(3-cyclobutylphenyl)pentan-1-one
SMILESCCC(N)CC(=O)c1cccc(C2CCC2)c1
InChIInChI=1S/C15H21NO/c1-2-14(16)10-15(17)13-8-4-7-12(9-13)11-5-3-6-11/h4,7-9,11,14H,2-3,5-6,10,16H2,1H3
InChIKeyOJMNZHJZWRDHNM-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.26
Rot. Bonds5

About 3-amino-1-(3-cyclobutylphenyl)pentan-1-one

3-amino-1-(3-cyclobutylphenyl)pentan-1-one (PubChem CID 114607770) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-amino-1-(3-cyclobutylphenyl)pentan-1-one.

Molecular Properties

Compound Name3-amino-1-(3-cyclobutylphenyl)pentan-1-one
PubChem CID114607770
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name3-amino-1-(3-cyclobutylphenyl)pentan-1-one
SMILESCCC(N)CC(=O)c1cccc(C2CCC2)c1
InChIInChI=1S/C15H21NO/c1-2-14(16)10-15(17)13-8-4-7-12(9-13)11-5-3-6-11/h4,7-9,11,14H,2-3,5-6,10,16H2,1H3
InChIKeyOJMNZHJZWRDHNM-UHFFFAOYSA-N
XLogP3.26
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-cyclobutylphenyl)pentan-1-one?
The IUPAC name of 3-amino-1-(3-cyclobutylphenyl)pentan-1-one (CID 114607770) is 3-amino-1-(3-cyclobutylphenyl)pentan-1-one.
What is the SMILES notation for 3-amino-1-(3-cyclobutylphenyl)pentan-1-one?
The canonical SMILES for 3-amino-1-(3-cyclobutylphenyl)pentan-1-one is CCC(N)CC(=O)c1cccc(C2CCC2)c1.
What is the InChIKey of 3-amino-1-(3-cyclobutylphenyl)pentan-1-one?
The InChIKey is OJMNZHJZWRDHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-2-14(16)10-15(17)13-8-4-7-12(9-13)11-5-3-6-11/h4,7-9,11,14H,2-3,5-6,10,16H2,1H3.
What are the key properties of 3-amino-1-(3-cyclobutylphenyl)pentan-1-one?
3-amino-1-(3-cyclobutylphenyl)pentan-1-one has a molecular weight of 231.34 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-cyclobutylphenyl)pentan-1-one is sourced from PubChem (CID 114607770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).