2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-4-propylcyclohexan-1-one

C18H33NO2 — CID 62614047

IUPAC2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-4-propylcyclohexan-1-one
SMILESCCCC1CCC(=O)C(CN(CCO)C2CCCCC2)C1
InChIInChI=1S/C18H33NO2/c1-2-6-15-9-10-18(21)16(13-15)14-19(11-12-20)17-7-4-3-5-8-17/h15-17,20H,2-14H2,1H3
InChIKeyPWJSEOWEFORIRM-UHFFFAOYSA-N
MW295.47 g/mol
LogP3.40
Rot. Bonds7

About 2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-4-propylcyclohexan-1-one

2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-4-propylcyclohexan-1-one (PubChem CID 62614047) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is 2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-4-propylcyclohexan-1-one.

Molecular Properties

Compound Name2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-4-propylcyclohexan-1-one
PubChem CID62614047
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC Name2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-4-propylcyclohexan-1-one
SMILESCCCC1CCC(=O)C(CN(CCO)C2CCCCC2)C1
InChIInChI=1S/C18H33NO2/c1-2-6-15-9-10-18(21)16(13-15)14-19(11-12-20)17-7-4-3-5-8-17/h15-17,20H,2-14H2,1H3
InChIKeyPWJSEOWEFORIRM-UHFFFAOYSA-N
XLogP3.40
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[ethyl(3-hydroxypropyl)amino]methyl]-4-propylcyclohexan-1-one
CID 113469011
2-[[cyclopentyl(ethyl)amino]methyl]-4-ethylcyclohexan-1-one
CID 55094874
2-[(2-amino-5-propylcyclohexyl)methyl-cyclohexylamino]ethanol
CID 62608943
3-[[cyclohexyl(2-hydroxyethyl)amino]methyl]oxan-4-one
CID 103057834
2-[[cyclopropylmethyl(propyl)amino]methyl]-4-propylcyclohexan-1-one
CID 55094828
2-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-4-propylcyclohexan-1-one
CID 62612741
2-[[cyclopropyl(propyl)amino]methyl]cycloheptan-1-one
CID 62612697
2-[[bis(2-methylpropyl)amino]methyl]-4-propylcyclohexan-1-one
CID 63483178
2-[[cyclohexyl(ethyl)amino]methyl]cyclopentan-1-one
CID 62612009
2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]-4-propylcyclohexan-1-one
CID 107228824
2-(2-ethylbutyl)-4-propylcyclohexan-1-one
CID 82928662
2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-4-propylcyclohexan-1-one
CID 62612572

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-4-propylcyclohexan-1-one?
The IUPAC name of 2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-4-propylcyclohexan-1-one (CID 62614047) is 2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-4-propylcyclohexan-1-one.
What is the SMILES notation for 2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-4-propylcyclohexan-1-one?
The canonical SMILES for 2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-4-propylcyclohexan-1-one is CCCC1CCC(=O)C(CN(CCO)C2CCCCC2)C1.
What is the InChIKey of 2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-4-propylcyclohexan-1-one?
The InChIKey is PWJSEOWEFORIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO2/c1-2-6-15-9-10-18(21)16(13-15)14-19(11-12-20)17-7-4-3-5-8-17/h15-17,20H,2-14H2,1H3.
What are the key properties of 2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-4-propylcyclohexan-1-one?
2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-4-propylcyclohexan-1-one has a molecular weight of 295.47 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-4-propylcyclohexan-1-one is sourced from PubChem (CID 62614047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).