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

C11H26N2O2 — CID 103184111

IUPAC1-N-[2-(3-methoxypropoxy)ethyl]-1-N-methylbutane-1,3-diamine
SMILESCOCCCOCCN(C)CCC(C)N
InChIInChI=1S/C11H26N2O2/c1-11(12)5-6-13(2)7-10-15-9-4-8-14-3/h11H,4-10,12H2,1-3H3
InChIKeyCPWAOWJNYOSIQA-UHFFFAOYSA-N
MW218.34 g/mol
LogP0.71
Rot. Bonds10

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

1-N-[2-(3-methoxypropoxy)ethyl]-1-N-methylbutane-1,3-diamine (PubChem CID 103184111) has the molecular formula C11H26N2O2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-N-[2-(3-methoxypropoxy)ethyl]-1-N-methylbutane-1,3-diamine.

Molecular Properties

Compound Name1-N-[2-(3-methoxypropoxy)ethyl]-1-N-methylbutane-1,3-diamine
PubChem CID103184111
Molecular FormulaC11H26N2O2
Molecular Weight218.34 g/mol
Exact Mass218.20
IUPAC Name1-N-[2-(3-methoxypropoxy)ethyl]-1-N-methylbutane-1,3-diamine
SMILESCOCCCOCCN(C)CCC(C)N
InChIInChI=1S/C11H26N2O2/c1-11(12)5-6-13(2)7-10-15-9-4-8-14-3/h11H,4-10,12H2,1-3H3
InChIKeyCPWAOWJNYOSIQA-UHFFFAOYSA-N
XLogP0.71
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 50.71
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

6-[2-(3-methoxypropoxy)ethoxy]hexan-2-amine
CID 103177211
ethane;N-[2-(3-methoxypropoxy)ethyl]-N-methylbutan-1-amine
CID 166148269
N'-[2-(3-methoxypropoxy)ethyl]-N,N'-dimethylpropane-1,3-diamine
CID 103181624
3-[2-(3-methoxypropoxy)ethyl-methylamino]-2-methylpropanenitrile
CID 103179685
(2S)-5-methoxypentan-2-amine
CID 93315322
N-[2-[3-(2-methoxyethoxy)propoxy]ethyl]-N-methylbutan-1-amine
CID 156867947
3-bromo-N-[3-(2-methoxyethoxy)propyl]-N-methylbutan-1-amine
CID 103413177
1-N-(2-butoxyethyl)-1-N-methylpropane-1,2-diamine
CID 63759164
2-[2-(3-methoxypropoxy)ethyl-methylamino]acetonitrile
CID 103909902
1-N-methyl-1-N-(4-methylpentyl)butane-1,3-diamine
CID 90943925
1-methoxy-3-[3-(3-methoxypropoxy)propoxy]propane
CID 6432627
2-[2-(3-methoxypropoxy)ethyl-methylamino]acetic acid
CID 103181230

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(3-methoxypropoxy)ethyl]-1-N-methylbutane-1,3-diamine?
The IUPAC name of 1-N-[2-(3-methoxypropoxy)ethyl]-1-N-methylbutane-1,3-diamine (CID 103184111) is 1-N-[2-(3-methoxypropoxy)ethyl]-1-N-methylbutane-1,3-diamine.
What is the SMILES notation for 1-N-[2-(3-methoxypropoxy)ethyl]-1-N-methylbutane-1,3-diamine?
The canonical SMILES for 1-N-[2-(3-methoxypropoxy)ethyl]-1-N-methylbutane-1,3-diamine is COCCCOCCN(C)CCC(C)N.
What is the InChIKey of 1-N-[2-(3-methoxypropoxy)ethyl]-1-N-methylbutane-1,3-diamine?
The InChIKey is CPWAOWJNYOSIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O2/c1-11(12)5-6-13(2)7-10-15-9-4-8-14-3/h11H,4-10,12H2,1-3H3.
What are the key properties of 1-N-[2-(3-methoxypropoxy)ethyl]-1-N-methylbutane-1,3-diamine?
1-N-[2-(3-methoxypropoxy)ethyl]-1-N-methylbutane-1,3-diamine has a molecular weight of 218.34 g/mol, XLogP of 0.71, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(3-methoxypropoxy)ethyl]-1-N-methylbutane-1,3-diamine is sourced from PubChem (CID 103184111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).