4-(ethylamino)cyclohexan-1-one

C8H15NO — CID 15290866

IUPAC4-(ethylamino)cyclohexan-1-one
SMILESCCNC1CCC(=O)CC1
InChIInChI=1S/C8H15NO/c1-2-9-7-3-5-8(10)6-4-7/h7,9H,2-6H2,1H3
InChIKeyIMQUJMKGLFWXHL-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.11
Rot. Bonds2

About 4-(ethylamino)cyclohexan-1-one

4-(ethylamino)cyclohexan-1-one (PubChem CID 15290866) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 4-(ethylamino)cyclohexan-1-one.

Molecular Properties

Compound Name4-(ethylamino)cyclohexan-1-one
PubChem CID15290866
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name4-(ethylamino)cyclohexan-1-one
SMILESCCNC1CCC(=O)CC1
InChIInChI=1S/C8H15NO/c1-2-9-7-3-5-8(10)6-4-7/h7,9H,2-6H2,1H3
InChIKeyIMQUJMKGLFWXHL-UHFFFAOYSA-N
XLogP1.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)cyclohexan-1-one?
The IUPAC name of 4-(ethylamino)cyclohexan-1-one (CID 15290866) is 4-(ethylamino)cyclohexan-1-one.
What is the SMILES notation for 4-(ethylamino)cyclohexan-1-one?
The canonical SMILES for 4-(ethylamino)cyclohexan-1-one is CCNC1CCC(=O)CC1.
What is the InChIKey of 4-(ethylamino)cyclohexan-1-one?
The InChIKey is IMQUJMKGLFWXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-2-9-7-3-5-8(10)6-4-7/h7,9H,2-6H2,1H3.
What are the key properties of 4-(ethylamino)cyclohexan-1-one?
4-(ethylamino)cyclohexan-1-one has a molecular weight of 141.21 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)cyclohexan-1-one is sourced from PubChem (CID 15290866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).