N'-[2-(3-methoxypropoxy)ethyl]-N,N'-dimethylpropane-1,3-diamine

C11H26N2O2 — CID 103181624

IUPACN'-[2-(3-methoxypropoxy)ethyl]-N,N'-dimethylpropane-1,3-diamine
SMILESCNCCCN(C)CCOCCCOC
InChIInChI=1S/C11H26N2O2/c1-12-6-4-7-13(2)8-11-15-10-5-9-14-3/h12H,4-11H2,1-3H3
InChIKeyBXMKTFSEUFMGRO-UHFFFAOYSA-N
MW218.34 g/mol
LogP0.58
Rot. Bonds11

About N'-[2-(3-methoxypropoxy)ethyl]-N,N'-dimethylpropane-1,3-diamine

N'-[2-(3-methoxypropoxy)ethyl]-N,N'-dimethylpropane-1,3-diamine (PubChem CID 103181624) has the molecular formula C11H26N2O2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N'-[2-(3-methoxypropoxy)ethyl]-N,N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(3-methoxypropoxy)ethyl]-N,N'-dimethylpropane-1,3-diamine
PubChem CID103181624
Molecular FormulaC11H26N2O2
Molecular Weight218.34 g/mol
Exact Mass218.20
IUPAC NameN'-[2-(3-methoxypropoxy)ethyl]-N,N'-dimethylpropane-1,3-diamine
SMILESCNCCCN(C)CCOCCCOC
InChIInChI=1S/C11H26N2O2/c1-12-6-4-7-13(2)8-11-15-10-5-9-14-3/h12H,4-11H2,1-3H3
InChIKeyBXMKTFSEUFMGRO-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'-(3-methoxypropyl)-N,N'-dimethylbutane-1,4-diamine
CID 63008855
ethane;N-[2-(3-methoxypropoxy)ethyl]-N-methylbutan-1-amine
CID 166148269
N-[2-[3-(2-methoxyethoxy)propoxy]ethyl]-N-methylbutan-1-amine
CID 156867947
2-[2-(3-methoxypropoxy)ethyl-methylamino]acetonitrile
CID 103909902
ethane;3-[3-(2-methoxyethoxy)propoxy]-N-methylpropan-1-amine
CID 176551886
2-[2-[2-[2-(dimethylamino)ethoxy]ethyl-methylamino]ethoxy]-N-methylethanamine
CID 90874873
N'-(4-methoxybutyl)-N,N'-dimethylmethanediamine
CID 143448630
6-[3-(2-methoxyethoxy)propoxy]-N-methylhexan-1-amine
CID 103406579
1-N-[2-(3-methoxypropoxy)ethyl]-1-N-methylbutane-1,3-diamine
CID 103184111
2-[2-(4-methoxybutoxy)ethoxy]-N-methylethanamine
CID 135175798
4-methoxy-N-(2-methoxyethyl)-N-methylbutan-1-amine
CID 143607553
N,N'-dimethyl-N'-[4-(methylamino)butyl]butane-1,4-diamine
CID 21130479

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-methoxypropoxy)ethyl]-N,N'-dimethylpropane-1,3-diamine?
The IUPAC name of N'-[2-(3-methoxypropoxy)ethyl]-N,N'-dimethylpropane-1,3-diamine (CID 103181624) is N'-[2-(3-methoxypropoxy)ethyl]-N,N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-(3-methoxypropoxy)ethyl]-N,N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-[2-(3-methoxypropoxy)ethyl]-N,N'-dimethylpropane-1,3-diamine is CNCCCN(C)CCOCCCOC.
What is the InChIKey of N'-[2-(3-methoxypropoxy)ethyl]-N,N'-dimethylpropane-1,3-diamine?
The InChIKey is BXMKTFSEUFMGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O2/c1-12-6-4-7-13(2)8-11-15-10-5-9-14-3/h12H,4-11H2,1-3H3.
What are the key properties of N'-[2-(3-methoxypropoxy)ethyl]-N,N'-dimethylpropane-1,3-diamine?
N'-[2-(3-methoxypropoxy)ethyl]-N,N'-dimethylpropane-1,3-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'-[2-(3-methoxypropoxy)ethyl]-N,N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 103181624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).