6-[[2-hydroxyethyl(propyl)amino]methyl]-2,2-dimethylcyclohexan-1-one

C14H27NO2 — CID 79853156

IUPAC6-[[2-hydroxyethyl(propyl)amino]methyl]-2,2-dimethylcyclohexan-1-one
SMILESCCCN(CCO)CC1CCCC(C)(C)C1=O
InChIInChI=1S/C14H27NO2/c1-4-8-15(9-10-16)11-12-6-5-7-14(2,3)13(12)17/h12,16H,4-11H2,1-3H3
InChIKeyHGXSHSVLEGTMQB-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.09
Rot. Bonds6

About 6-[[2-hydroxyethyl(propyl)amino]methyl]-2,2-dimethylcyclohexan-1-one

6-[[2-hydroxyethyl(propyl)amino]methyl]-2,2-dimethylcyclohexan-1-one (PubChem CID 79853156) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 6-[[2-hydroxyethyl(propyl)amino]methyl]-2,2-dimethylcyclohexan-1-one.

Molecular Properties

Compound Name6-[[2-hydroxyethyl(propyl)amino]methyl]-2,2-dimethylcyclohexan-1-one
PubChem CID79853156
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name6-[[2-hydroxyethyl(propyl)amino]methyl]-2,2-dimethylcyclohexan-1-one
SMILESCCCN(CCO)CC1CCCC(C)(C)C1=O
InChIInChI=1S/C14H27NO2/c1-4-8-15(9-10-16)11-12-6-5-7-14(2,3)13(12)17/h12,16H,4-11H2,1-3H3
InChIKeyHGXSHSVLEGTMQB-UHFFFAOYSA-N
XLogP2.09
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[butyl(2-hydroxyethyl)amino]methyl]-2,2-dimethylcyclopentan-1-one
CID 79867021
2,2-dimethyl-6-[[methyl(propyl)amino]methyl]cyclohexan-1-one
CID 79852451
5-[[ethyl(propyl)amino]methyl]-2,2-dimethylcyclopentan-1-one
CID 79866669
6-[(dimethylamino)methyl]-2,2-dimethylcyclohexan-1-one
CID 69350867
6-[[1-hydroxypropan-2-yl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-one
CID 104554486
6-[[2-ethoxyethyl(ethyl)amino]methyl]-2,2-dimethylcyclohexan-1-one
CID 79852372
5-[[2-hydroxyethyl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-one
CID 79866535
2,2-dimethyl-6-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-one
CID 112664506
2,2-dimethyl-6-[[methyl(4-methylpentan-2-yl)amino]methyl]cyclohexan-1-one
CID 79852813
6-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-2,2-dimethylcyclohexan-1-one
CID 79852374
6-[[3-methoxypropyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-one
CID 79853251
5-[[ethyl(2-methoxyethyl)amino]methyl]-2,2-dimethylcyclopentan-1-one
CID 79867026

Frequently Asked Questions

What is the IUPAC name of 6-[[2-hydroxyethyl(propyl)amino]methyl]-2,2-dimethylcyclohexan-1-one?
The IUPAC name of 6-[[2-hydroxyethyl(propyl)amino]methyl]-2,2-dimethylcyclohexan-1-one (CID 79853156) is 6-[[2-hydroxyethyl(propyl)amino]methyl]-2,2-dimethylcyclohexan-1-one.
What is the SMILES notation for 6-[[2-hydroxyethyl(propyl)amino]methyl]-2,2-dimethylcyclohexan-1-one?
The canonical SMILES for 6-[[2-hydroxyethyl(propyl)amino]methyl]-2,2-dimethylcyclohexan-1-one is CCCN(CCO)CC1CCCC(C)(C)C1=O.
What is the InChIKey of 6-[[2-hydroxyethyl(propyl)amino]methyl]-2,2-dimethylcyclohexan-1-one?
The InChIKey is HGXSHSVLEGTMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-4-8-15(9-10-16)11-12-6-5-7-14(2,3)13(12)17/h12,16H,4-11H2,1-3H3.
What are the key properties of 6-[[2-hydroxyethyl(propyl)amino]methyl]-2,2-dimethylcyclohexan-1-one?
6-[[2-hydroxyethyl(propyl)amino]methyl]-2,2-dimethylcyclohexan-1-one has a molecular weight of 241.37 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-hydroxyethyl(propyl)amino]methyl]-2,2-dimethylcyclohexan-1-one is sourced from PubChem (CID 79853156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).