1-[4-ethyl-2-(methoxymethyl)cyclohexyl]-N-methylmethanamine

C12H25NO — CID 81031850

IUPAC1-[4-ethyl-2-(methoxymethyl)cyclohexyl]-N-methylmethanamine
SMILESCCC1CCC(CNC)C(COC)C1
InChIInChI=1S/C12H25NO/c1-4-10-5-6-11(8-13-2)12(7-10)9-14-3/h10-13H,4-9H2,1-3H3
InChIKeyPEXNYTSJQJUOBO-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.29
Rot. Bonds5

About 1-[4-ethyl-2-(methoxymethyl)cyclohexyl]-N-methylmethanamine

1-[4-ethyl-2-(methoxymethyl)cyclohexyl]-N-methylmethanamine (PubChem CID 81031850) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-[4-ethyl-2-(methoxymethyl)cyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-ethyl-2-(methoxymethyl)cyclohexyl]-N-methylmethanamine
PubChem CID81031850
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name1-[4-ethyl-2-(methoxymethyl)cyclohexyl]-N-methylmethanamine
SMILESCCC1CCC(CNC)C(COC)C1
InChIInChI=1S/C12H25NO/c1-4-10-5-6-11(8-13-2)12(7-10)9-14-3/h10-13H,4-9H2,1-3H3
InChIKeyPEXNYTSJQJUOBO-UHFFFAOYSA-N
XLogP2.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(cyclohexylmethyl)-4-ethylcyclohexyl]-N-methylmethanamine
CID 81031700
1-[4-ethyl-2-(2-ethylbutyl)cyclohexyl]-N-methylmethanamine
CID 82934632
1-[2-(methoxymethyl)cycloheptyl]-N-methylmethanamine
CID 81025446
1-[4-ethyl-2-[(2-methoxyphenyl)methyl]cyclohexyl]-N-methylmethanamine
CID 81032383
N-[[2-(methoxymethyl)-4-propylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 81030062
1-[4-ethyl-2-(2-propan-2-ylsulfonylethyl)cyclohexyl]-N-methylmethanamine
CID 106735592
ethane;1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 166157734
1-[4-ethyl-2-(pyridin-4-ylmethyl)cyclohexyl]-N-methylmethanamine
CID 81031325
N-[[2-(ethoxymethyl)-4-ethylcyclohexyl]methyl]propan-2-amine
CID 81029725
N-[[4-ethyl-2-(propoxymethyl)cyclohexyl]methyl]propan-1-amine
CID 81029863
1-[2-(3,4-dimethylcyclohexyl)-4-ethylcyclohexyl]-N-methylmethanamine
CID 81031403
1-[4-ethyl-2-(pyridin-3-ylmethyl)cyclohexyl]-N-methylmethanamine
CID 113447096

Frequently Asked Questions

What is the IUPAC name of 1-[4-ethyl-2-(methoxymethyl)cyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[4-ethyl-2-(methoxymethyl)cyclohexyl]-N-methylmethanamine (CID 81031850) is 1-[4-ethyl-2-(methoxymethyl)cyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-ethyl-2-(methoxymethyl)cyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-ethyl-2-(methoxymethyl)cyclohexyl]-N-methylmethanamine is CCC1CCC(CNC)C(COC)C1.
What is the InChIKey of 1-[4-ethyl-2-(methoxymethyl)cyclohexyl]-N-methylmethanamine?
The InChIKey is PEXNYTSJQJUOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-10-5-6-11(8-13-2)12(7-10)9-14-3/h10-13H,4-9H2,1-3H3.
What are the key properties of 1-[4-ethyl-2-(methoxymethyl)cyclohexyl]-N-methylmethanamine?
1-[4-ethyl-2-(methoxymethyl)cyclohexyl]-N-methylmethanamine has a molecular weight of 199.34 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-ethyl-2-(methoxymethyl)cyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 81031850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).