4-ethyl-1-[[(2-ethyl-2-methyloxan-4-yl)amino]methyl]cyclohexan-1-ol

C17H33NO2 — CID 65115943

IUPAC4-ethyl-1-[[(2-ethyl-2-methyloxan-4-yl)amino]methyl]cyclohexan-1-ol
SMILESCCC1CCC(O)(CNC2CCOC(C)(CC)C2)CC1
InChIInChI=1S/C17H33NO2/c1-4-14-6-9-17(19,10-7-14)13-18-15-8-11-20-16(3,5-2)12-15/h14-15,18-19H,4-13H2,1-3H3
InChIKeyYXOWMCXWSFAQQT-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.26
Rot. Bonds5

About 4-ethyl-1-[[(2-ethyl-2-methyloxan-4-yl)amino]methyl]cyclohexan-1-ol

4-ethyl-1-[[(2-ethyl-2-methyloxan-4-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 65115943) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is 4-ethyl-1-[[(2-ethyl-2-methyloxan-4-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-ethyl-1-[[(2-ethyl-2-methyloxan-4-yl)amino]methyl]cyclohexan-1-ol
PubChem CID65115943
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name4-ethyl-1-[[(2-ethyl-2-methyloxan-4-yl)amino]methyl]cyclohexan-1-ol
SMILESCCC1CCC(O)(CNC2CCOC(C)(CC)C2)CC1
InChIInChI=1S/C17H33NO2/c1-4-14-6-9-17(19,10-7-14)13-18-15-8-11-20-16(3,5-2)12-15/h14-15,18-19H,4-13H2,1-3H3
InChIKeyYXOWMCXWSFAQQT-UHFFFAOYSA-N
XLogP3.26
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-ethyl-1-[[(2-ethyl-2-methyloxan-4-yl)amino]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

4-ethyl-1-[[(4-ethylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 65116333
1-[[(2,2-dimethyloxan-4-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 65118095
1-[[(2,2-dimethyloxan-4-yl)amino]methyl]cyclopentan-1-ol
CID 65105371
1-[[(4,4-dimethylcycloheptyl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 65116174
4-ethyl-1-[[(3-methylcyclopentyl)amino]methyl]cyclohexan-1-ol
CID 65116235
1-[4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]piperidin-1-yl]ethanone
CID 65116415
4-ethyl-1-[(thian-3-ylamino)methyl]cyclohexan-1-ol
CID 65116047
4-ethyl-1-[[(1-methylpyrrolidin-3-yl)amino]methyl]cyclohexan-1-ol
CID 65116040
2-ethyl-N-[(2-ethyloxolan-3-yl)methyl]-2-methyloxan-4-amine
CID 114105127
4-ethyl-1-[[(3-phenylcyclobutyl)amino]methyl]cyclohexan-1-ol
CID 65116260
3-[[(2-ethyl-2-methyloxan-4-yl)amino]methyl]hexan-1-ol
CID 106114365
2-ethyl-2-methyl-N-(4,4,4-trifluorobutyl)oxan-4-amine
CID 115516369

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[[(2-ethyl-2-methyloxan-4-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-ethyl-1-[[(2-ethyl-2-methyloxan-4-yl)amino]methyl]cyclohexan-1-ol (CID 65115943) is 4-ethyl-1-[[(2-ethyl-2-methyloxan-4-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-ethyl-1-[[(2-ethyl-2-methyloxan-4-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-ethyl-1-[[(2-ethyl-2-methyloxan-4-yl)amino]methyl]cyclohexan-1-ol is CCC1CCC(O)(CNC2CCOC(C)(CC)C2)CC1.
What is the InChIKey of 4-ethyl-1-[[(2-ethyl-2-methyloxan-4-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is YXOWMCXWSFAQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-4-14-6-9-17(19,10-7-14)13-18-15-8-11-20-16(3,5-2)12-15/h14-15,18-19H,4-13H2,1-3H3.
What are the key properties of 4-ethyl-1-[[(2-ethyl-2-methyloxan-4-yl)amino]methyl]cyclohexan-1-ol?
4-ethyl-1-[[(2-ethyl-2-methyloxan-4-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 283.46 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[[(2-ethyl-2-methyloxan-4-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 65115943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).