2-[2-(dimethylamino)ethoxy]-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine

C13H29N3O2 — CID 114127523

IUPAC2-[2-(dimethylamino)ethoxy]-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine
SMILESCCN1CCOC(CNCCOCCN(C)C)C1
InChIInChI=1S/C13H29N3O2/c1-4-16-7-10-18-13(12-16)11-14-5-8-17-9-6-15(2)3/h13-14H,4-12H2,1-3H3
InChIKeyPSEYSZVPHRYLLW-UHFFFAOYSA-N
MW259.39 g/mol
LogP-0.13
Rot. Bonds9

About 2-[2-(dimethylamino)ethoxy]-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine

2-[2-(dimethylamino)ethoxy]-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine (PubChem CID 114127523) has the molecular formula C13H29N3O2 and a molecular weight of 259.39 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethoxy]-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethoxy]-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine
PubChem CID114127523
Molecular FormulaC13H29N3O2
Molecular Weight259.39 g/mol
Exact Mass259.23
IUPAC Name2-[2-(dimethylamino)ethoxy]-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine
SMILESCCN1CCOC(CNCCOCCN(C)C)C1
InChIInChI=1S/C13H29N3O2/c1-4-16-7-10-18-13(12-16)11-14-5-8-17-9-6-15(2)3/h13-14H,4-12H2,1-3H3
InChIKeyPSEYSZVPHRYLLW-UHFFFAOYSA-N
XLogP-0.13
TPSA36.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-ethylmorpholin-2-yl)methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 79164867
N-[(4-ethylmorpholin-2-yl)methyl]-2-propan-2-yloxyethanamine
CID 115626301
N-[(4-ethylmorpholin-2-yl)methyl]-2-ethylsulfanylethanamine
CID 114399810
2-[(4-ethylmorpholin-2-yl)methylamino]ethyl carbamate
CID 83210717
2-cyclopentyloxy-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine
CID 79164427
N-[(4-ethylmorpholin-2-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 79165763
3-bromo-N-[(4-ethylmorpholin-2-yl)methyl]propan-1-amine
CID 114293488
N-[(4-ethylmorpholin-2-yl)methyl]-3-methoxy-3-methylbutan-1-amine
CID 103033653
3-N-[(4-ethylmorpholin-2-yl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine
CID 79164421
2-[(4-ethylmorpholin-2-yl)methyl]-1,1-dimethylhydrazine
CID 83013622
N'-[(4-ethylmorpholin-2-yl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 79172350
N-[(4-ethylmorpholin-2-yl)methyl]-6-iodohexan-1-amine
CID 107845055

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethoxy]-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine?
The IUPAC name of 2-[2-(dimethylamino)ethoxy]-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine (CID 114127523) is 2-[2-(dimethylamino)ethoxy]-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-[2-(dimethylamino)ethoxy]-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine?
The canonical SMILES for 2-[2-(dimethylamino)ethoxy]-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine is CCN1CCOC(CNCCOCCN(C)C)C1.
What is the InChIKey of 2-[2-(dimethylamino)ethoxy]-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine?
The InChIKey is PSEYSZVPHRYLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O2/c1-4-16-7-10-18-13(12-16)11-14-5-8-17-9-6-15(2)3/h13-14H,4-12H2,1-3H3.
What are the key properties of 2-[2-(dimethylamino)ethoxy]-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine?
2-[2-(dimethylamino)ethoxy]-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine has a molecular weight of 259.39 g/mol, XLogP of -0.13, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethoxy]-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine is sourced from PubChem (CID 114127523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).