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

C10H19NO3 — CID 79619177

IUPAC3-[bis(2-hydroxyethyl)amino]cyclohexan-1-one
SMILESO=C1CCCC(N(CCO)CCO)C1
InChIInChI=1S/C10H19NO3/c12-6-4-11(5-7-13)9-2-1-3-10(14)8-9/h9,12-13H,1-8H2
InChIKeyVFMLRYZQSKMJRT-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.22
Rot. Bonds5

About 3-[bis(2-hydroxyethyl)amino]cyclohexan-1-one

3-[bis(2-hydroxyethyl)amino]cyclohexan-1-one (PubChem CID 79619177) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-[bis(2-hydroxyethyl)amino]cyclohexan-1-one.

Molecular Properties

Compound Name3-[bis(2-hydroxyethyl)amino]cyclohexan-1-one
PubChem CID79619177
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name3-[bis(2-hydroxyethyl)amino]cyclohexan-1-one
SMILESO=C1CCCC(N(CCO)CCO)C1
InChIInChI=1S/C10H19NO3/c12-6-4-11(5-7-13)9-2-1-3-10(14)8-9/h9,12-13H,1-8H2
InChIKeyVFMLRYZQSKMJRT-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

3-[cyclopropyl(2-hydroxyethyl)amino]cyclohexan-1-one
CID 79617866
3-[ethyl(2-methoxyethyl)amino]cyclohexan-1-one
CID 79618844
2-[cyclohexyl(2-hydroxyethyl)amino]ethanol;nickel
CID 88833532
3-(dibutylamino)cyclopentan-1-one
CID 79644207
2-[bis(2-hydroxyethyl)amino]cyclohexan-1-one
CID 62052223
3-[ethyl(propyl)amino]cyclopentan-1-one
CID 79642682
methyl N-methyl-N-(3-oxocyclohexyl)carbamate
CID 45119437
3-[methyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-one
CID 79618179
tert-butyl-[(1R)-3-oxocyclohexyl]carbamic acid
CID 97170156
3-[cyclohexyl(2-hydroxyethyl)amino]propanal
CID 63039607
5-[cyclobutyl(2-hydroxyethyl)amino]pentanoic acid
CID 102863962
1-[2-[cyclobutyl(2-hydroxyethyl)amino]acetyl]pyrrolidin-2-one
CID 102870091

Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-hydroxyethyl)amino]cyclohexan-1-one?
The IUPAC name of 3-[bis(2-hydroxyethyl)amino]cyclohexan-1-one (CID 79619177) is 3-[bis(2-hydroxyethyl)amino]cyclohexan-1-one.
What is the SMILES notation for 3-[bis(2-hydroxyethyl)amino]cyclohexan-1-one?
The canonical SMILES for 3-[bis(2-hydroxyethyl)amino]cyclohexan-1-one is O=C1CCCC(N(CCO)CCO)C1.
What is the InChIKey of 3-[bis(2-hydroxyethyl)amino]cyclohexan-1-one?
The InChIKey is VFMLRYZQSKMJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c12-6-4-11(5-7-13)9-2-1-3-10(14)8-9/h9,12-13H,1-8H2.
What are the key properties of 3-[bis(2-hydroxyethyl)amino]cyclohexan-1-one?
3-[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 3-[bis(2-hydroxyethyl)amino]cyclohexan-1-one is sourced from PubChem (CID 79619177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).