2-[[cyclohexyl(ethyl)amino]methyl]cyclopentan-1-one

C14H25NO — CID 62612009

IUPAC2-[[cyclohexyl(ethyl)amino]methyl]cyclopentan-1-one
SMILESCCN(CC1CCCC1=O)C1CCCCC1
InChIInChI=1S/C14H25NO/c1-2-15(13-8-4-3-5-9-13)11-12-7-6-10-14(12)16/h12-13H,2-11H2,1H3
InChIKeyCXYYFMIRJZPAJZ-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.01
Rot. Bonds4

About 2-[[cyclohexyl(ethyl)amino]methyl]cyclopentan-1-one

2-[[cyclohexyl(ethyl)amino]methyl]cyclopentan-1-one (PubChem CID 62612009) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-[[cyclohexyl(ethyl)amino]methyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[[cyclohexyl(ethyl)amino]methyl]cyclopentan-1-one
PubChem CID62612009
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name2-[[cyclohexyl(ethyl)amino]methyl]cyclopentan-1-one
SMILESCCN(CC1CCCC1=O)C1CCCCC1
InChIInChI=1S/C14H25NO/c1-2-15(13-8-4-3-5-9-13)11-12-7-6-10-14(12)16/h12-13H,2-11H2,1H3
InChIKeyCXYYFMIRJZPAJZ-UHFFFAOYSA-N
XLogP3.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[cyclohexyl(ethyl)amino]methyl]cyclopentan-1-one?
The IUPAC name of 2-[[cyclohexyl(ethyl)amino]methyl]cyclopentan-1-one (CID 62612009) is 2-[[cyclohexyl(ethyl)amino]methyl]cyclopentan-1-one.
What is the SMILES notation for 2-[[cyclohexyl(ethyl)amino]methyl]cyclopentan-1-one?
The canonical SMILES for 2-[[cyclohexyl(ethyl)amino]methyl]cyclopentan-1-one is CCN(CC1CCCC1=O)C1CCCCC1.
What is the InChIKey of 2-[[cyclohexyl(ethyl)amino]methyl]cyclopentan-1-one?
The InChIKey is CXYYFMIRJZPAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-2-15(13-8-4-3-5-9-13)11-12-7-6-10-14(12)16/h12-13H,2-11H2,1H3.
What are the key properties of 2-[[cyclohexyl(ethyl)amino]methyl]cyclopentan-1-one?
2-[[cyclohexyl(ethyl)amino]methyl]cyclopentan-1-one has a molecular weight of 223.36 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclohexyl(ethyl)amino]methyl]cyclopentan-1-one is sourced from PubChem (CID 62612009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).