N-methyl-2-(4-methylcyclohexyl)oxy-1-(oxolan-3-yl)ethanamine

C14H27NO2 — CID 113448579

IUPACN-methyl-2-(4-methylcyclohexyl)oxy-1-(oxolan-3-yl)ethanamine
SMILESCNC(COC1CCC(C)CC1)C1CCOC1
InChIInChI=1S/C14H27NO2/c1-11-3-5-13(6-4-11)17-10-14(15-2)12-7-8-16-9-12/h11-15H,3-10H2,1-2H3
InChIKeyOJLPUESFBLMIFU-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.21
Rot. Bonds5

About N-methyl-2-(4-methylcyclohexyl)oxy-1-(oxolan-3-yl)ethanamine

N-methyl-2-(4-methylcyclohexyl)oxy-1-(oxolan-3-yl)ethanamine (PubChem CID 113448579) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is N-methyl-2-(4-methylcyclohexyl)oxy-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(4-methylcyclohexyl)oxy-1-(oxolan-3-yl)ethanamine
PubChem CID113448579
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC NameN-methyl-2-(4-methylcyclohexyl)oxy-1-(oxolan-3-yl)ethanamine
SMILESCNC(COC1CCC(C)CC1)C1CCOC1
InChIInChI=1S/C14H27NO2/c1-11-3-5-13(6-4-11)17-10-14(15-2)12-7-8-16-9-12/h11-15H,3-10H2,1-2H3
InChIKeyOJLPUESFBLMIFU-UHFFFAOYSA-N
XLogP2.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-dimethyloxan-4-yl)oxy-N-methyl-1-(oxolan-3-yl)ethanamine
CID 113448696
N-[2-cyclopentyloxy-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 113448527
N-[2-cycloheptyloxy-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 104749186
2-(2-ethylcyclohexyl)oxy-N-methyl-1-(oxolan-3-yl)ethanamine
CID 104748738
N-methyl-1-(oxolan-3-yl)-2-(oxolan-3-ylmethoxy)ethanamine
CID 104749257
N-methyl-2-(2-methylbutan-2-yloxy)-1-(oxolan-3-yl)ethanamine
CID 104748957
2-[2-(2-methoxyethoxy)ethoxy]-N-methyl-1-(oxolan-3-yl)ethanamine
CID 104749761
N-methyl-2-methylsulfanyl-1-(oxolan-3-yl)ethanamine
CID 63564188
2-cycloheptyloxy-1-cyclohexyl-N-methylethanamine
CID 104749178
N-methyl-1-(oxolan-3-yl)-2-(oxolan-2-ylmethoxy)ethanamine
CID 104748716
N,N'-dimethyl-N'-(3-methylbutyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745169
2-methoxy-N-methyl-1-(oxan-4-yl)ethanamine
CID 63936278

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methylcyclohexyl)oxy-1-(oxolan-3-yl)ethanamine?
The IUPAC name of N-methyl-2-(4-methylcyclohexyl)oxy-1-(oxolan-3-yl)ethanamine (CID 113448579) is N-methyl-2-(4-methylcyclohexyl)oxy-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(4-methylcyclohexyl)oxy-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for N-methyl-2-(4-methylcyclohexyl)oxy-1-(oxolan-3-yl)ethanamine is CNC(COC1CCC(C)CC1)C1CCOC1.
What is the InChIKey of N-methyl-2-(4-methylcyclohexyl)oxy-1-(oxolan-3-yl)ethanamine?
The InChIKey is OJLPUESFBLMIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-11-3-5-13(6-4-11)17-10-14(15-2)12-7-8-16-9-12/h11-15H,3-10H2,1-2H3.
What are the key properties of N-methyl-2-(4-methylcyclohexyl)oxy-1-(oxolan-3-yl)ethanamine?
N-methyl-2-(4-methylcyclohexyl)oxy-1-(oxolan-3-yl)ethanamine has a molecular weight of 241.37 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methylcyclohexyl)oxy-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 113448579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).