1-[cyclohexyl(2-hydroxyethyl)amino]-3-methylbutan-2-one

C13H25NO2 — CID 79395277

IUPAC1-[cyclohexyl(2-hydroxyethyl)amino]-3-methylbutan-2-one
SMILESCC(C)C(=O)CN(CCO)C1CCCCC1
InChIInChI=1S/C13H25NO2/c1-11(2)13(16)10-14(8-9-15)12-6-4-3-5-7-12/h11-12,15H,3-10H2,1-2H3
InChIKeyXTVDJYPHJZNSHN-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.84
Rot. Bonds6

About 1-[cyclohexyl(2-hydroxyethyl)amino]-3-methylbutan-2-one

1-[cyclohexyl(2-hydroxyethyl)amino]-3-methylbutan-2-one (PubChem CID 79395277) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-[cyclohexyl(2-hydroxyethyl)amino]-3-methylbutan-2-one.

Molecular Properties

Compound Name1-[cyclohexyl(2-hydroxyethyl)amino]-3-methylbutan-2-one
PubChem CID79395277
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name1-[cyclohexyl(2-hydroxyethyl)amino]-3-methylbutan-2-one
SMILESCC(C)C(=O)CN(CCO)C1CCCCC1
InChIInChI=1S/C13H25NO2/c1-11(2)13(16)10-14(8-9-15)12-6-4-3-5-7-12/h11-12,15H,3-10H2,1-2H3
InChIKeyXTVDJYPHJZNSHN-UHFFFAOYSA-N
XLogP1.84
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl 2-[cyclohexyl(2-hydroxyethyl)amino]acetate
CID 60694307
2-[cyclobutyl(2-hydroxyethyl)amino]-N-cyclohexyl-N-methylacetamide
CID 102676811
3-[cycloheptyl(2-hydroxyethyl)amino]-2-methylpropanoic acid
CID 82329620
N-cyclohexyl-2-[cyclopropyl(2-hydroxyethyl)amino]-N-methylacetamide
CID 60774513
1-[cyclopentyl(methyl)amino]-3-methylbutan-2-one
CID 79395457
1-[cyclohexyl(2-hydroxyethyl)amino]-3-methoxypropan-2-one
CID 107507311
methyl 2-[cyclobutyl(2-hydroxyethyl)amino]acetate
CID 102677162
2-[cyclohexyl(2-hydroxyethyl)amino]ethanol;nickel
CID 88833532
2-[cyclopentyl(2-hydroxyethyl)amino]-N,N-diethylacetamide
CID 62015445
N-tert-butyl-2-[cyclohexyl(2-hydroxyethyl)amino]acetamide
CID 60693925
2-[cyclobutyl(2-hydroxyethyl)amino]-N-methylacetamide
CID 102676924
2-[cyclopentyl(2-hydroxyethyl)amino]-N,N-dipropylacetamide
CID 62015247

Frequently Asked Questions

What is the IUPAC name of 1-[cyclohexyl(2-hydroxyethyl)amino]-3-methylbutan-2-one?
The IUPAC name of 1-[cyclohexyl(2-hydroxyethyl)amino]-3-methylbutan-2-one (CID 79395277) is 1-[cyclohexyl(2-hydroxyethyl)amino]-3-methylbutan-2-one.
What is the SMILES notation for 1-[cyclohexyl(2-hydroxyethyl)amino]-3-methylbutan-2-one?
The canonical SMILES for 1-[cyclohexyl(2-hydroxyethyl)amino]-3-methylbutan-2-one is CC(C)C(=O)CN(CCO)C1CCCCC1.
What is the InChIKey of 1-[cyclohexyl(2-hydroxyethyl)amino]-3-methylbutan-2-one?
The InChIKey is XTVDJYPHJZNSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-11(2)13(16)10-14(8-9-15)12-6-4-3-5-7-12/h11-12,15H,3-10H2,1-2H3.
What are the key properties of 1-[cyclohexyl(2-hydroxyethyl)amino]-3-methylbutan-2-one?
1-[cyclohexyl(2-hydroxyethyl)amino]-3-methylbutan-2-one has a molecular weight of 227.35 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclohexyl(2-hydroxyethyl)amino]-3-methylbutan-2-one is sourced from PubChem (CID 79395277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).