5-amino-1-(2-cyclobutylphenyl)-2-methylpentan-1-one

C16H23NO — CID 114607787

IUPAC5-amino-1-(2-cyclobutylphenyl)-2-methylpentan-1-one
SMILESCC(CCCN)C(=O)c1ccccc1C1CCC1
InChIInChI=1S/C16H23NO/c1-12(6-5-11-17)16(18)15-10-3-2-9-14(15)13-7-4-8-13/h2-3,9-10,12-13H,4-8,11,17H2,1H3
InChIKeyDHECDQNBMPTCPY-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.51
Rot. Bonds6

About 5-amino-1-(2-cyclobutylphenyl)-2-methylpentan-1-one

5-amino-1-(2-cyclobutylphenyl)-2-methylpentan-1-one (PubChem CID 114607787) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 5-amino-1-(2-cyclobutylphenyl)-2-methylpentan-1-one.

Molecular Properties

Compound Name5-amino-1-(2-cyclobutylphenyl)-2-methylpentan-1-one
PubChem CID114607787
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name5-amino-1-(2-cyclobutylphenyl)-2-methylpentan-1-one
SMILESCC(CCCN)C(=O)c1ccccc1C1CCC1
InChIInChI=1S/C16H23NO/c1-12(6-5-11-17)16(18)15-10-3-2-9-14(15)13-7-4-8-13/h2-3,9-10,12-13H,4-8,11,17H2,1H3
InChIKeyDHECDQNBMPTCPY-UHFFFAOYSA-N
XLogP3.51
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2-cyclobutylphenyl)-2-methylpentan-1-one?
The IUPAC name of 5-amino-1-(2-cyclobutylphenyl)-2-methylpentan-1-one (CID 114607787) is 5-amino-1-(2-cyclobutylphenyl)-2-methylpentan-1-one.
What is the SMILES notation for 5-amino-1-(2-cyclobutylphenyl)-2-methylpentan-1-one?
The canonical SMILES for 5-amino-1-(2-cyclobutylphenyl)-2-methylpentan-1-one is CC(CCCN)C(=O)c1ccccc1C1CCC1.
What is the InChIKey of 5-amino-1-(2-cyclobutylphenyl)-2-methylpentan-1-one?
The InChIKey is DHECDQNBMPTCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-12(6-5-11-17)16(18)15-10-3-2-9-14(15)13-7-4-8-13/h2-3,9-10,12-13H,4-8,11,17H2,1H3.
What are the key properties of 5-amino-1-(2-cyclobutylphenyl)-2-methylpentan-1-one?
5-amino-1-(2-cyclobutylphenyl)-2-methylpentan-1-one has a molecular weight of 245.37 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2-cyclobutylphenyl)-2-methylpentan-1-one is sourced from PubChem (CID 114607787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).