N'-[(4-ethylmorpholin-2-yl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine

C13H29N3O2 — CID 79172350

IUPACN'-[(4-ethylmorpholin-2-yl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
SMILESCCN1CCOC(CN(C)CCNCCOC)C1
InChIInChI=1S/C13H29N3O2/c1-4-16-8-10-18-13(12-16)11-15(2)7-5-14-6-9-17-3/h13-14H,4-12H2,1-3H3
InChIKeyMVAUDXPXOUSEOZ-UHFFFAOYSA-N
MW259.39 g/mol
LogP-0.13
Rot. Bonds9

About N'-[(4-ethylmorpholin-2-yl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine

N'-[(4-ethylmorpholin-2-yl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine (PubChem CID 79172350) has the molecular formula C13H29N3O2 and a molecular weight of 259.39 g/mol. Its IUPAC name is N'-[(4-ethylmorpholin-2-yl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(4-ethylmorpholin-2-yl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
PubChem CID79172350
Molecular FormulaC13H29N3O2
Molecular Weight259.39 g/mol
Exact Mass259.23
IUPAC NameN'-[(4-ethylmorpholin-2-yl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
SMILESCCN1CCOC(CN(C)CCNCCOC)C1
InChIInChI=1S/C13H29N3O2/c1-4-16-8-10-18-13(12-16)11-15(2)7-5-14-6-9-17-3/h13-14H,4-12H2,1-3H3
InChIKeyMVAUDXPXOUSEOZ-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-methylpropan-1-amine
CID 142615879
N'-[(4-ethylmorpholin-2-yl)methyl]-N'-methyl-N-propan-2-ylethane-1,2-diamine
CID 79171078
N,N'-diethyl-N'-[(4-ethylmorpholin-2-yl)methyl]ethane-1,2-diamine
CID 79171654
2-[2-(dimethylamino)ethoxy]-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine
CID 114127523
N-[(4-ethylmorpholin-2-yl)methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 79164867
N-(2-methoxyethyl)-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine
CID 63234363
N-[[1-[(4-ethylmorpholin-2-yl)methyl]piperidin-3-yl]methyl]-2-methoxyethanamine
CID 79174620
2-[(4-ethylmorpholin-2-yl)methyl-methylamino]acetonitrile
CID 78946650
N-[(4-ethylmorpholin-2-yl)methyl]-2-propan-2-yloxyethanamine
CID 115626301
1-(4-ethylmorpholin-2-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine
CID 114112858
N-[(4-ethylmorpholin-2-yl)methyl]-N-methylethenamine
CID 169213885
N,2-dimethyl-N-[[(2S)-4-[2-(propylamino)ethyl]morpholin-2-yl]methyl]propan-1-amine
CID 166800661

Frequently Asked Questions

What is the IUPAC name of N'-[(4-ethylmorpholin-2-yl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-[(4-ethylmorpholin-2-yl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine (CID 79172350) is N'-[(4-ethylmorpholin-2-yl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-[(4-ethylmorpholin-2-yl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-[(4-ethylmorpholin-2-yl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine is CCN1CCOC(CN(C)CCNCCOC)C1.
What is the InChIKey of N'-[(4-ethylmorpholin-2-yl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The InChIKey is MVAUDXPXOUSEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O2/c1-4-16-8-10-18-13(12-16)11-15(2)7-5-14-6-9-17-3/h13-14H,4-12H2,1-3H3.
What are the key properties of N'-[(4-ethylmorpholin-2-yl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
N'-[(4-ethylmorpholin-2-yl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine 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 N'-[(4-ethylmorpholin-2-yl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 79172350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).