N'-ethyl-N-[3-[ethyl(methoxy)amino]propyl]-N'-methoxypropane-1,3-diamine

C12H29N3O2 — CID 91426007

IUPACN'-ethyl-N-[3-[ethyl(methoxy)amino]propyl]-N'-methoxypropane-1,3-diamine
SMILESCCN(CCCNCCCN(CC)OC)OC
InChIInChI=1S/C12H29N3O2/c1-5-14(16-3)11-7-9-13-10-8-12-15(6-2)17-4/h13H,5-12H2,1-4H3
InChIKeyMIIXFBJCQCTSOM-UHFFFAOYSA-N
MW247.38 g/mol
LogP1.12
Rot. Bonds12

About N'-ethyl-N-[3-[ethyl(methoxy)amino]propyl]-N'-methoxypropane-1,3-diamine

N'-ethyl-N-[3-[ethyl(methoxy)amino]propyl]-N'-methoxypropane-1,3-diamine (PubChem CID 91426007) has the molecular formula C12H29N3O2 and a molecular weight of 247.38 g/mol. Its IUPAC name is N'-ethyl-N-[3-[ethyl(methoxy)amino]propyl]-N'-methoxypropane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-N-[3-[ethyl(methoxy)amino]propyl]-N'-methoxypropane-1,3-diamine
PubChem CID91426007
Molecular FormulaC12H29N3O2
Molecular Weight247.38 g/mol
Exact Mass247.23
IUPAC NameN'-ethyl-N-[3-[ethyl(methoxy)amino]propyl]-N'-methoxypropane-1,3-diamine
SMILESCCN(CCCNCCCN(CC)OC)OC
InChIInChI=1S/C12H29N3O2/c1-5-14(16-3)11-7-9-13-10-8-12-15(6-2)17-4/h13H,5-12H2,1-4H3
InChIKeyMIIXFBJCQCTSOM-UHFFFAOYSA-N
XLogP1.12
TPSA36.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-butyl-N'-ethyl-N-propylpropane-1,3-diamine
CID 61386892
N'-ethyl-N'-methyl-N-propylpropane-1,3-diamine
CID 61386623
methyl 3-[3-(diethylamino)propylamino]propanoate
CID 43242751
N'-ethyl-N-(2-methoxyethyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62569840
N-(3-methoxypropyl)-N',N'-dimethylpropane-1,3-diamine
CID 60925630
N-[5-(diethylamino)pentyl]-N',N'-diethylpentane-1,5-diamine
CID 23131522
N,N'-bis[3-(dimethylamino)propyl]propane-1,3-diamine
CID 10999288
N',N'-dibutyl-N-(2-methoxyethyl)butane-1,4-diamine
CID 62569487
N'-ethyl-N-(4-methoxybutyl)-N'-methylethane-1,2-diamine
CID 104647419
N'-butyl-N'-ethyl-N-(2-methoxyethyl)ethane-1,2-diamine
CID 62575465
2-[ethyl-[3-(propylamino)propyl]amino]ethanol
CID 61387164
N'-butyl-N-ethyl-N'-methylpropane-1,3-diamine
CID 61386866

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-[3-[ethyl(methoxy)amino]propyl]-N'-methoxypropane-1,3-diamine?
The IUPAC name of N'-ethyl-N-[3-[ethyl(methoxy)amino]propyl]-N'-methoxypropane-1,3-diamine (CID 91426007) is N'-ethyl-N-[3-[ethyl(methoxy)amino]propyl]-N'-methoxypropane-1,3-diamine.
What is the SMILES notation for N'-ethyl-N-[3-[ethyl(methoxy)amino]propyl]-N'-methoxypropane-1,3-diamine?
The canonical SMILES for N'-ethyl-N-[3-[ethyl(methoxy)amino]propyl]-N'-methoxypropane-1,3-diamine is CCN(CCCNCCCN(CC)OC)OC.
What is the InChIKey of N'-ethyl-N-[3-[ethyl(methoxy)amino]propyl]-N'-methoxypropane-1,3-diamine?
The InChIKey is MIIXFBJCQCTSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29N3O2/c1-5-14(16-3)11-7-9-13-10-8-12-15(6-2)17-4/h13H,5-12H2,1-4H3.
What are the key properties of N'-ethyl-N-[3-[ethyl(methoxy)amino]propyl]-N'-methoxypropane-1,3-diamine?
N'-ethyl-N-[3-[ethyl(methoxy)amino]propyl]-N'-methoxypropane-1,3-diamine has a molecular weight of 247.38 g/mol, XLogP of 1.12, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-[3-[ethyl(methoxy)amino]propyl]-N'-methoxypropane-1,3-diamine is sourced from PubChem (CID 91426007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).