N-[2-[3-methoxypropyl(methyl)amino]ethyl]-N',N'-dimethylethane-1,2-diamine

C11H27N3O — CID 63007801

IUPACN-[2-[3-methoxypropyl(methyl)amino]ethyl]-N',N'-dimethylethane-1,2-diamine
SMILESCOCCCN(C)CCNCCN(C)C
InChIInChI=1S/C11H27N3O/c1-13(2)9-6-12-7-10-14(3)8-5-11-15-4/h12H,5-11H2,1-4H3
InChIKeyQUYLTZFWWFIWPG-UHFFFAOYSA-N
MW217.36 g/mol
LogP0.11
Rot. Bonds10

About N-[2-[3-methoxypropyl(methyl)amino]ethyl]-N',N'-dimethylethane-1,2-diamine

N-[2-[3-methoxypropyl(methyl)amino]ethyl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 63007801) has the molecular formula C11H27N3O and a molecular weight of 217.36 g/mol. Its IUPAC name is N-[2-[3-methoxypropyl(methyl)amino]ethyl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[2-[3-methoxypropyl(methyl)amino]ethyl]-N',N'-dimethylethane-1,2-diamine
PubChem CID63007801
Molecular FormulaC11H27N3O
Molecular Weight217.36 g/mol
Exact Mass217.22
IUPAC NameN-[2-[3-methoxypropyl(methyl)amino]ethyl]-N',N'-dimethylethane-1,2-diamine
SMILESCOCCCN(C)CCNCCN(C)C
InChIInChI=1S/C11H27N3O/c1-13(2)9-6-12-7-10-14(3)8-5-11-15-4/h12H,5-11H2,1-4H3
InChIKeyQUYLTZFWWFIWPG-UHFFFAOYSA-N
XLogP0.11
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 50.11
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'-(3-ethoxypropyl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 65175029
N-(3-methoxypropyl)-N',N'-dimethylpropane-1,3-diamine
CID 60925630
N-(2-ethylbutyl)-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine
CID 115756980
N'-ethyl-N-(4-methoxybutyl)-N'-methylethane-1,2-diamine
CID 104647419
N'-(3-methoxypropyl)-N,N'-dimethylbutane-1,4-diamine
CID 63008855
N-(2-fluoroethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 80695332
N-heptyl-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62844812
N-(3-methoxypropyl)-N-methylpentan-1-amine
CID 143723134
N'-[2-[2-(dimethylamino)ethylamino]ethyl]-N'-methylethane-1,2-diamine
CID 134394080
N'-hydroxy-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]butanimidamide
CID 77030327
N-(3,3-dimethylbutyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62557559
N'-(3-methoxypropyl)-N'-methyl-N-(1H-pyrazol-5-ylmethyl)ethane-1,2-diamine
CID 115655056

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-methoxypropyl(methyl)amino]ethyl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[2-[3-methoxypropyl(methyl)amino]ethyl]-N',N'-dimethylethane-1,2-diamine (CID 63007801) is N-[2-[3-methoxypropyl(methyl)amino]ethyl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[2-[3-methoxypropyl(methyl)amino]ethyl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[2-[3-methoxypropyl(methyl)amino]ethyl]-N',N'-dimethylethane-1,2-diamine is COCCCN(C)CCNCCN(C)C.
What is the InChIKey of N-[2-[3-methoxypropyl(methyl)amino]ethyl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is QUYLTZFWWFIWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N3O/c1-13(2)9-6-12-7-10-14(3)8-5-11-15-4/h12H,5-11H2,1-4H3.
What are the key properties of N-[2-[3-methoxypropyl(methyl)amino]ethyl]-N',N'-dimethylethane-1,2-diamine?
N-[2-[3-methoxypropyl(methyl)amino]ethyl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 217.36 g/mol, XLogP of 0.11, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-methoxypropyl(methyl)amino]ethyl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 63007801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).