2-[4-[2-(dimethylamino)ethoxy]cyclohexyl]-N-methylethanamine

C13H28N2O — CID 23395947

IUPAC2-[4-[2-(dimethylamino)ethoxy]cyclohexyl]-N-methylethanamine
SMILESCNCCC1CCC(OCCN(C)C)CC1
InChIInChI=1S/C13H28N2O/c1-14-9-8-12-4-6-13(7-5-12)16-11-10-15(2)3/h12-14H,4-11H2,1-3H3
InChIKeyPYINCLJJBBAWSF-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.73
Rot. Bonds7

About 2-[4-[2-(dimethylamino)ethoxy]cyclohexyl]-N-methylethanamine

2-[4-[2-(dimethylamino)ethoxy]cyclohexyl]-N-methylethanamine (PubChem CID 23395947) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-[4-[2-(dimethylamino)ethoxy]cyclohexyl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4-[2-(dimethylamino)ethoxy]cyclohexyl]-N-methylethanamine
PubChem CID23395947
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2-[4-[2-(dimethylamino)ethoxy]cyclohexyl]-N-methylethanamine
SMILESCNCCC1CCC(OCCN(C)C)CC1
InChIInChI=1S/C13H28N2O/c1-14-9-8-12-4-6-13(7-5-12)16-11-10-15(2)3/h12-14H,4-11H2,1-3H3
InChIKeyPYINCLJJBBAWSF-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(dimethylamino)ethoxy]cyclohexyl]-N-methylethanamine?
The IUPAC name of 2-[4-[2-(dimethylamino)ethoxy]cyclohexyl]-N-methylethanamine (CID 23395947) is 2-[4-[2-(dimethylamino)ethoxy]cyclohexyl]-N-methylethanamine.
What is the SMILES notation for 2-[4-[2-(dimethylamino)ethoxy]cyclohexyl]-N-methylethanamine?
The canonical SMILES for 2-[4-[2-(dimethylamino)ethoxy]cyclohexyl]-N-methylethanamine is CNCCC1CCC(OCCN(C)C)CC1.
What is the InChIKey of 2-[4-[2-(dimethylamino)ethoxy]cyclohexyl]-N-methylethanamine?
The InChIKey is PYINCLJJBBAWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-14-9-8-12-4-6-13(7-5-12)16-11-10-15(2)3/h12-14H,4-11H2,1-3H3.
What are the key properties of 2-[4-[2-(dimethylamino)ethoxy]cyclohexyl]-N-methylethanamine?
2-[4-[2-(dimethylamino)ethoxy]cyclohexyl]-N-methylethanamine has a molecular weight of 228.38 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(dimethylamino)ethoxy]cyclohexyl]-N-methylethanamine is sourced from PubChem (CID 23395947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).