N-(2-methoxyethyl)-N'-[2-[2-methoxyethyl(methyl)amino]ethyl]-N'-[2-[2-methoxyethyl(propyl)amino]ethyl]ethane-1,2-diamine

C19H44N4O3 — CID 20641944

IUPACN-(2-methoxyethyl)-N'-[2-[2-methoxyethyl(methyl)amino]ethyl]-N'-[2-[2-methoxyethyl(propyl)amino]ethyl]ethane-1,2-diamine
SMILESCCCN(CCOC)CCN(CCNCCOC)CCN(C)CCOC
InChIInChI=1S/C19H44N4O3/c1-6-9-22(16-19-26-5)13-14-23(10-7-20-8-17-24-3)12-11-21(2)15-18-25-4/h20H,6-19H2,1-5H3
InChIKeyIKVZUKAAYKGPHH-UHFFFAOYSA-N
MW376.59 g/mol
LogP0.46
Rot. Bonds20

About N-(2-methoxyethyl)-N'-[2-[2-methoxyethyl(methyl)amino]ethyl]-N'-[2-[2-methoxyethyl(propyl)amino]ethyl]ethane-1,2-diamine

N-(2-methoxyethyl)-N'-[2-[2-methoxyethyl(methyl)amino]ethyl]-N'-[2-[2-methoxyethyl(propyl)amino]ethyl]ethane-1,2-diamine (PubChem CID 20641944) has the molecular formula C19H44N4O3 and a molecular weight of 376.59 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N'-[2-[2-methoxyethyl(methyl)amino]ethyl]-N'-[2-[2-methoxyethyl(propyl)amino]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N'-[2-[2-methoxyethyl(methyl)amino]ethyl]-N'-[2-[2-methoxyethyl(propyl)amino]ethyl]ethane-1,2-diamine
PubChem CID20641944
Molecular FormulaC19H44N4O3
Molecular Weight376.59 g/mol
Exact Mass376.34
IUPAC NameN-(2-methoxyethyl)-N'-[2-[2-methoxyethyl(methyl)amino]ethyl]-N'-[2-[2-methoxyethyl(propyl)amino]ethyl]ethane-1,2-diamine
SMILESCCCN(CCOC)CCN(CCNCCOC)CCN(C)CCOC
InChIInChI=1S/C19H44N4O3/c1-6-9-22(16-19-26-5)13-14-23(10-7-20-8-17-24-3)12-11-21(2)15-18-25-4/h20H,6-19H2,1-5H3
InChIKeyIKVZUKAAYKGPHH-UHFFFAOYSA-N
XLogP0.46
TPSA49.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.59
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1,2-Ethanediamine, N,N-bis(2-methoxyethyl)-
CID 7138275
Diethyl({2-[(2-methoxyethyl)amino]ethyl})amine
CID 23116495
1,13-Dioxa-4,7,10,16,19,22-hexaazacyclotetracosane
CID 5250737
4,8,12,18,22,26-Hexaaza-1,15-dioxacyclooctaeicosane
CID 54456129
1,4,7,13,16,19-Hexaaza-10,22-dioxatetraeicosan
CID 129691269
(S)-1,4,7-Tris(2-hydroxypropyl)-1,4,7,10-tetraazacyclododecane
CID 139070768
N-(3-fluoropropyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 81105235
N'-(3-fluoropropyl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 81107219
17-Oxa-1,4,8,11-tetrazabicyclo[6.6.5]nonadecane
CID 10612129
7,19,30-Trioxa-1,4,10,13,16,22,27,33-octaazabicyclo[11.11.11]pentatriacontane
CID 10289155
1,10,19-Trioxa-4,7,13,16,22,25-hexazacycloheptacosane
CID 12959030
N~1~,N~2~-Bis(2-methoxyethyl)ethane-1,2-diamine
CID 13599000

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N'-[2-[2-methoxyethyl(methyl)amino]ethyl]-N'-[2-[2-methoxyethyl(propyl)amino]ethyl]ethane-1,2-diamine?
The IUPAC name of N-(2-methoxyethyl)-N'-[2-[2-methoxyethyl(methyl)amino]ethyl]-N'-[2-[2-methoxyethyl(propyl)amino]ethyl]ethane-1,2-diamine (CID 20641944) is N-(2-methoxyethyl)-N'-[2-[2-methoxyethyl(methyl)amino]ethyl]-N'-[2-[2-methoxyethyl(propyl)amino]ethyl]ethane-1,2-diamine.
What is the SMILES notation for N-(2-methoxyethyl)-N'-[2-[2-methoxyethyl(methyl)amino]ethyl]-N'-[2-[2-methoxyethyl(propyl)amino]ethyl]ethane-1,2-diamine?
The canonical SMILES for N-(2-methoxyethyl)-N'-[2-[2-methoxyethyl(methyl)amino]ethyl]-N'-[2-[2-methoxyethyl(propyl)amino]ethyl]ethane-1,2-diamine is CCCN(CCOC)CCN(CCNCCOC)CCN(C)CCOC.
What is the InChIKey of N-(2-methoxyethyl)-N'-[2-[2-methoxyethyl(methyl)amino]ethyl]-N'-[2-[2-methoxyethyl(propyl)amino]ethyl]ethane-1,2-diamine?
The InChIKey is IKVZUKAAYKGPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H44N4O3/c1-6-9-22(16-19-26-5)13-14-23(10-7-20-8-17-24-3)12-11-21(2)15-18-25-4/h20H,6-19H2,1-5H3.
What are the key properties of N-(2-methoxyethyl)-N'-[2-[2-methoxyethyl(methyl)amino]ethyl]-N'-[2-[2-methoxyethyl(propyl)amino]ethyl]ethane-1,2-diamine?
N-(2-methoxyethyl)-N'-[2-[2-methoxyethyl(methyl)amino]ethyl]-N'-[2-[2-methoxyethyl(propyl)amino]ethyl]ethane-1,2-diamine has a molecular weight of 376.59 g/mol, XLogP of 0.46, 20 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N'-[2-[2-methoxyethyl(methyl)amino]ethyl]-N'-[2-[2-methoxyethyl(propyl)amino]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 20641944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).