2-[[benzyl(ethyl)amino]methyl]cyclohexan-1-one

C16H23NO — CID 62614565

IUPAC2-[[benzyl(ethyl)amino]methyl]cyclohexan-1-one
SMILESCCN(Cc1ccccc1)CC1CCCCC1=O
InChIInChI=1S/C16H23NO/c1-2-17(12-14-8-4-3-5-9-14)13-15-10-6-7-11-16(15)18/h3-5,8-9,15H,2,6-7,10-13H2,1H3
InChIKeyDLPPWGVGNVRQSD-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.27
Rot. Bonds5

About 2-[[benzyl(ethyl)amino]methyl]cyclohexan-1-one

2-[[benzyl(ethyl)amino]methyl]cyclohexan-1-one (PubChem CID 62614565) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-[[benzyl(ethyl)amino]methyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[[benzyl(ethyl)amino]methyl]cyclohexan-1-one
PubChem CID62614565
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name2-[[benzyl(ethyl)amino]methyl]cyclohexan-1-one
SMILESCCN(Cc1ccccc1)CC1CCCCC1=O
InChIInChI=1S/C16H23NO/c1-2-17(12-14-8-4-3-5-9-14)13-15-10-6-7-11-16(15)18/h3-5,8-9,15H,2,6-7,10-13H2,1H3
InChIKeyDLPPWGVGNVRQSD-UHFFFAOYSA-N
XLogP3.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[benzyl(ethyl)amino]methyl]cyclohexan-1-one?
The IUPAC name of 2-[[benzyl(ethyl)amino]methyl]cyclohexan-1-one (CID 62614565) is 2-[[benzyl(ethyl)amino]methyl]cyclohexan-1-one.
What is the SMILES notation for 2-[[benzyl(ethyl)amino]methyl]cyclohexan-1-one?
The canonical SMILES for 2-[[benzyl(ethyl)amino]methyl]cyclohexan-1-one is CCN(Cc1ccccc1)CC1CCCCC1=O.
What is the InChIKey of 2-[[benzyl(ethyl)amino]methyl]cyclohexan-1-one?
The InChIKey is DLPPWGVGNVRQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-2-17(12-14-8-4-3-5-9-14)13-15-10-6-7-11-16(15)18/h3-5,8-9,15H,2,6-7,10-13H2,1H3.
What are the key properties of 2-[[benzyl(ethyl)amino]methyl]cyclohexan-1-one?
2-[[benzyl(ethyl)amino]methyl]cyclohexan-1-one has a molecular weight of 245.37 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[benzyl(ethyl)amino]methyl]cyclohexan-1-one is sourced from PubChem (CID 62614565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).