2-[bis(2-hydroxyethyl)amino]cyclohexan-1-one

C10H19NO3 — CID 62052223

IUPAC2-[bis(2-hydroxyethyl)amino]cyclohexan-1-one
SMILESO=C1CCCCC1N(CCO)CCO
InChIInChI=1S/C10H19NO3/c12-7-5-11(6-8-13)9-3-1-2-4-10(9)14/h9,12-13H,1-8H2
InChIKeyNEPDEWDSJYIHKQ-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.22
Rot. Bonds5

About 2-[bis(2-hydroxyethyl)amino]cyclohexan-1-one

2-[bis(2-hydroxyethyl)amino]cyclohexan-1-one (PubChem CID 62052223) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethyl)amino]cyclohexan-1-one.

Molecular Properties

Compound Name2-[bis(2-hydroxyethyl)amino]cyclohexan-1-one
PubChem CID62052223
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2-[bis(2-hydroxyethyl)amino]cyclohexan-1-one
SMILESO=C1CCCCC1N(CCO)CCO
InChIInChI=1S/C10H19NO3/c12-7-5-11(6-8-13)9-3-1-2-4-10(9)14/h9,12-13H,1-8H2
InChIKeyNEPDEWDSJYIHKQ-UHFFFAOYSA-N
XLogP-0.22
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dipropylamino)cyclopentan-1-one
CID 43794618
3-[bis(2-hydroxyethyl)amino]azepan-2-one
CID 62021702
2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]cyclohexan-1-one
CID 55010795
3-[bis(2-hydroxyethyl)amino]cyclohexan-1-one
CID 79619177
2-[ethyl-(2-oxocyclohexyl)amino]-N-propan-2-ylacetamide
CID 62036694
3-[ethyl(2-hydroxyethyl)amino]azepan-2-one
CID 62021591
2-[methyl(pentyl)amino]cyclohexan-1-one
CID 43796037
2-[methyl(2-methylsulfanylethyl)amino]cycloheptan-1-one
CID 112661915
3-[methyl-(2-oxocyclohexyl)amino]propanenitrile
CID 62051152
2-[methyl(2-methylpropyl)amino]cyclohexan-1-one
CID 43795669
2-[cyclopropyl(propyl)amino]cyclopentan-1-one
CID 43795493
2-[cyclopropyl(ethyl)amino]cycloheptan-1-one
CID 60862924

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxyethyl)amino]cyclohexan-1-one?
The IUPAC name of 2-[bis(2-hydroxyethyl)amino]cyclohexan-1-one (CID 62052223) is 2-[bis(2-hydroxyethyl)amino]cyclohexan-1-one.
What is the SMILES notation for 2-[bis(2-hydroxyethyl)amino]cyclohexan-1-one?
The canonical SMILES for 2-[bis(2-hydroxyethyl)amino]cyclohexan-1-one is O=C1CCCCC1N(CCO)CCO.
What is the InChIKey of 2-[bis(2-hydroxyethyl)amino]cyclohexan-1-one?
The InChIKey is NEPDEWDSJYIHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c12-7-5-11(6-8-13)9-3-1-2-4-10(9)14/h9,12-13H,1-8H2.
What are the key properties of 2-[bis(2-hydroxyethyl)amino]cyclohexan-1-one?
2-[bis(2-hydroxyethyl)amino]cyclohexan-1-one has a molecular weight of 201.27 g/mol, XLogP of -0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxyethyl)amino]cyclohexan-1-one is sourced from PubChem (CID 62052223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).