5-[benzyl(ethyl)amino]pentan-2-one

C14H21NO — CID 62050785

IUPAC5-[benzyl(ethyl)amino]pentan-2-one
SMILESCCN(CCCC(C)=O)Cc1ccccc1
InChIInChI=1S/C14H21NO/c1-3-15(11-7-8-13(2)16)12-14-9-5-4-6-10-14/h4-6,9-10H,3,7-8,11-12H2,1-2H3
InChIKeyOKDMPQGKABAVRU-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.88
Rot. Bonds7

About 5-[benzyl(ethyl)amino]pentan-2-one

5-[benzyl(ethyl)amino]pentan-2-one (PubChem CID 62050785) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 5-[benzyl(ethyl)amino]pentan-2-one.

Molecular Properties

Compound Name5-[benzyl(ethyl)amino]pentan-2-one
PubChem CID62050785
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name5-[benzyl(ethyl)amino]pentan-2-one
SMILESCCN(CCCC(C)=O)Cc1ccccc1
InChIInChI=1S/C14H21NO/c1-3-15(11-7-8-13(2)16)12-14-9-5-4-6-10-14/h4-6,9-10H,3,7-8,11-12H2,1-2H3
InChIKeyOKDMPQGKABAVRU-UHFFFAOYSA-N
XLogP2.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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3-[benzyl(ethyl)amino]-1-(2-fluorophenyl)propan-1-one
CID 62618687
N-[3-[benzyl(ethyl)amino]propyl]-3-pyrrol-1-ylpropanamide
CID 46343167
5-phenylpentan-2-one
CID 16701
3-[[benzyl(ethyl)amino]methyl]benzoic acid
CID 22685949
4-(dibenzylamino)butanehydrazide
CID 130159101
3-[ethyl-[(4-phenylphenyl)methyl]amino]propan-1-ol
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Frequently Asked Questions

What is the IUPAC name of 5-[benzyl(ethyl)amino]pentan-2-one?
The IUPAC name of 5-[benzyl(ethyl)amino]pentan-2-one (CID 62050785) is 5-[benzyl(ethyl)amino]pentan-2-one.
What is the SMILES notation for 5-[benzyl(ethyl)amino]pentan-2-one?
The canonical SMILES for 5-[benzyl(ethyl)amino]pentan-2-one is CCN(CCCC(C)=O)Cc1ccccc1.
What is the InChIKey of 5-[benzyl(ethyl)amino]pentan-2-one?
The InChIKey is OKDMPQGKABAVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-15(11-7-8-13(2)16)12-14-9-5-4-6-10-14/h4-6,9-10H,3,7-8,11-12H2,1-2H3.
What are the key properties of 5-[benzyl(ethyl)amino]pentan-2-one?
5-[benzyl(ethyl)amino]pentan-2-one has a molecular weight of 219.33 g/mol, XLogP of 2.88, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[benzyl(ethyl)amino]pentan-2-one is sourced from PubChem (CID 62050785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).