N'-(3-ethoxypropyl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine

C11H26N2O2 — CID 65175029

IUPACN'-(3-ethoxypropyl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
SMILESCCOCCCN(C)CCNCCOC
InChIInChI=1S/C11H26N2O2/c1-4-15-10-5-8-13(2)9-6-12-7-11-14-3/h12H,4-11H2,1-3H3
InChIKeyXERJKHUSNPJLSS-UHFFFAOYSA-N
MW218.34 g/mol
LogP0.58
Rot. Bonds11

About N'-(3-ethoxypropyl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine

N'-(3-ethoxypropyl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine (PubChem CID 65175029) has the molecular formula C11H26N2O2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N'-(3-ethoxypropyl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3-ethoxypropyl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
PubChem CID65175029
Molecular FormulaC11H26N2O2
Molecular Weight218.34 g/mol
Exact Mass218.20
IUPAC NameN'-(3-ethoxypropyl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
SMILESCCOCCCN(C)CCNCCOC
InChIInChI=1S/C11H26N2O2/c1-4-15-10-5-8-13(2)9-6-12-7-11-14-3/h12H,4-11H2,1-3H3
InChIKeyXERJKHUSNPJLSS-UHFFFAOYSA-N
XLogP0.58
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-ethoxyethyl)-N-(2-methoxyethyl)-N'-methylbutane-1,4-diamine
CID 81068399
N-[2-[3-methoxypropyl(methyl)amino]ethyl]-N',N'-dimethylethane-1,2-diamine
CID 63007801
N'-(3-ethoxypropyl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 65175588
N-[2-(2-ethoxyethoxy)ethyl]-2-methoxyethanamine
CID 62566507
N-cyclopropyl-N'-(3-ethoxypropyl)-N'-methylethane-1,2-diamine
CID 65175083
N'-(4-ethoxybutyl)-N-ethyl-N'-methylbutane-1,4-diamine
CID 156884771
N'-(2,2-dimethylpropyl)-N-(3-ethoxypropyl)-N'-methylethane-1,2-diamine
CID 62557181
N-(2-ethylbutyl)-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine
CID 115756980
N-heptyl-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62844812
2-(4-ethoxybutyl)-1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine
CID 111652936
N'-ethyl-N-(4-methoxybutyl)-N'-methylethane-1,2-diamine
CID 104647419
N-(cyclopropylmethyl)-N'-(2-ethoxyethyl)-N'-methylethane-1,2-diamine
CID 81055453

Frequently Asked Questions

What is the IUPAC name of N'-(3-ethoxypropyl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-(3-ethoxypropyl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine (CID 65175029) is N'-(3-ethoxypropyl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-(3-ethoxypropyl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-(3-ethoxypropyl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine is CCOCCCN(C)CCNCCOC.
What is the InChIKey of N'-(3-ethoxypropyl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The InChIKey is XERJKHUSNPJLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O2/c1-4-15-10-5-8-13(2)9-6-12-7-11-14-3/h12H,4-11H2,1-3H3.
What are the key properties of N'-(3-ethoxypropyl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
N'-(3-ethoxypropyl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine has a molecular weight of 218.34 g/mol, XLogP of 0.58, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-ethoxypropyl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 65175029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).