N-[3-(2-methoxyethoxy)propyl]-N,N',2-trimethylpropane-1,3-diamine

C12H28N2O2 — CID 106915870

IUPACN-[3-(2-methoxyethoxy)propyl]-N,N',2-trimethylpropane-1,3-diamine
SMILESCNCC(C)CN(C)CCCOCCOC
InChIInChI=1S/C12H28N2O2/c1-12(10-13-2)11-14(3)6-5-7-16-9-8-15-4/h12-13H,5-11H2,1-4H3
InChIKeyAQVFJOOTAUDCCJ-UHFFFAOYSA-N
MW232.37 g/mol
LogP0.83
Rot. Bonds11

About N-[3-(2-methoxyethoxy)propyl]-N,N',2-trimethylpropane-1,3-diamine

N-[3-(2-methoxyethoxy)propyl]-N,N',2-trimethylpropane-1,3-diamine (PubChem CID 106915870) has the molecular formula C12H28N2O2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N-[3-(2-methoxyethoxy)propyl]-N,N',2-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[3-(2-methoxyethoxy)propyl]-N,N',2-trimethylpropane-1,3-diamine
PubChem CID106915870
Molecular FormulaC12H28N2O2
Molecular Weight232.37 g/mol
Exact Mass232.22
IUPAC NameN-[3-(2-methoxyethoxy)propyl]-N,N',2-trimethylpropane-1,3-diamine
SMILESCNCC(C)CN(C)CCCOCCOC
InChIInChI=1S/C12H28N2O2/c1-12(10-13-2)11-14(3)6-5-7-16-9-8-15-4/h12-13H,5-11H2,1-4H3
InChIKeyAQVFJOOTAUDCCJ-UHFFFAOYSA-N
XLogP0.83
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 50.83
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,N',2-trimethylpropane-1,3-diamine
CID 106915894
1-methoxy-3-[3-(2-methoxyethoxy)propyl-methylamino]propan-2-ol
CID 103412009
3-bromo-N-[3-(2-methoxyethoxy)propyl]-N-methylbutan-1-amine
CID 103413177
N-(4-methoxybutan-2-yl)-N,N',2-trimethylpropane-1,3-diamine
CID 106915876
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylpentane
CID 58473516
N-[2-[3-(2-methoxyethoxy)propoxy]ethyl]-N-methylbutan-1-amine
CID 156867947
N-(1-methoxypropan-2-yl)-N,N',2-trimethylpropane-1,3-diamine
CID 62429833
formaldehyde;N-[3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propyl]-N-methyloctadecan-1-amine
CID 161166009
3-N-(2-methoxyethyl)-3-N-(3-methoxypropyl)-1-N,2-dimethylbutane-1,3-diamine
CID 79409479
N-[2-(2-methoxyphenoxy)ethyl]-N,N',2-trimethylpropane-1,3-diamine
CID 106915931
N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methyl-3-(methylamino)propanamide
CID 119855422
N-(3-methoxypropyl)-N,2-dimethyl-3-(methylamino)propanamide
CID 79202132

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethoxy)propyl]-N,N',2-trimethylpropane-1,3-diamine?
The IUPAC name of N-[3-(2-methoxyethoxy)propyl]-N,N',2-trimethylpropane-1,3-diamine (CID 106915870) is N-[3-(2-methoxyethoxy)propyl]-N,N',2-trimethylpropane-1,3-diamine.
What is the SMILES notation for N-[3-(2-methoxyethoxy)propyl]-N,N',2-trimethylpropane-1,3-diamine?
The canonical SMILES for N-[3-(2-methoxyethoxy)propyl]-N,N',2-trimethylpropane-1,3-diamine is CNCC(C)CN(C)CCCOCCOC.
What is the InChIKey of N-[3-(2-methoxyethoxy)propyl]-N,N',2-trimethylpropane-1,3-diamine?
The InChIKey is AQVFJOOTAUDCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O2/c1-12(10-13-2)11-14(3)6-5-7-16-9-8-15-4/h12-13H,5-11H2,1-4H3.
What are the key properties of N-[3-(2-methoxyethoxy)propyl]-N,N',2-trimethylpropane-1,3-diamine?
N-[3-(2-methoxyethoxy)propyl]-N,N',2-trimethylpropane-1,3-diamine has a molecular weight of 232.37 g/mol, XLogP of 0.83, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethoxy)propyl]-N,N',2-trimethylpropane-1,3-diamine is sourced from PubChem (CID 106915870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).