N'-(3-ethoxypropyl)-N,N,2,2-tetramethylpropane-1,3-diamine

C12H28N2O — CID 65176530

IUPACN'-(3-ethoxypropyl)-N,N,2,2-tetramethylpropane-1,3-diamine
SMILESCCOCCCNCC(C)(C)CN(C)C
InChIInChI=1S/C12H28N2O/c1-6-15-9-7-8-13-10-12(2,3)11-14(4)5/h13H,6-11H2,1-5H3
InChIKeyPJKKBGXIQXCINO-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.59
Rot. Bonds9

About N'-(3-ethoxypropyl)-N,N,2,2-tetramethylpropane-1,3-diamine

N'-(3-ethoxypropyl)-N,N,2,2-tetramethylpropane-1,3-diamine (PubChem CID 65176530) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is N'-(3-ethoxypropyl)-N,N,2,2-tetramethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(3-ethoxypropyl)-N,N,2,2-tetramethylpropane-1,3-diamine
PubChem CID65176530
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC NameN'-(3-ethoxypropyl)-N,N,2,2-tetramethylpropane-1,3-diamine
SMILESCCOCCCNCC(C)(C)CN(C)C
InChIInChI=1S/C12H28N2O/c1-6-15-9-7-8-13-10-12(2,3)11-14(4)5/h13H,6-11H2,1-5H3
InChIKeyPJKKBGXIQXCINO-UHFFFAOYSA-N
XLogP1.59
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-hexyl-N,N,2,2-tetramethylpropane-1,3-diamine
CID 28879474
1-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(3-ethoxypropyl)-2-methylguanidine;hydroiodide
CID 111224966
N,N,2,2-tetramethyl-N'-[2-[(2-methylpropan-2-yl)oxy]ethyl]propane-1,3-diamine
CID 112588610
N,N,2,2-tetramethyl-N'-(3-phenoxypropyl)propane-1,3-diamine
CID 60688858
1-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-3-(2-ethoxyethoxy)propan-2-ol
CID 60632580
N'-[2-(dimethylamino)ethyl]-N,N,2,2-tetramethylpropane-1,3-diamine
CID 28572535
N'-(2,2-dimethylpropyl)-N-(3-ethoxypropyl)-N'-methylethane-1,2-diamine
CID 62557181
3-(3-ethoxypropylamino)-2,2-dimethylpropanoic acid
CID 79629719
N-(2-ethoxyethyl)-N-ethyl-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 55226146
3-ethoxy-N,N,2,2-tetramethylpropan-1-amine
CID 90227656
1-N-(3-ethoxypropyl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 62558176
2-(3-ethoxypropyl)-1,1-dimethylhydrazine
CID 54552082

Frequently Asked Questions

What is the IUPAC name of N'-(3-ethoxypropyl)-N,N,2,2-tetramethylpropane-1,3-diamine?
The IUPAC name of N'-(3-ethoxypropyl)-N,N,2,2-tetramethylpropane-1,3-diamine (CID 65176530) is N'-(3-ethoxypropyl)-N,N,2,2-tetramethylpropane-1,3-diamine.
What is the SMILES notation for N'-(3-ethoxypropyl)-N,N,2,2-tetramethylpropane-1,3-diamine?
The canonical SMILES for N'-(3-ethoxypropyl)-N,N,2,2-tetramethylpropane-1,3-diamine is CCOCCCNCC(C)(C)CN(C)C.
What is the InChIKey of N'-(3-ethoxypropyl)-N,N,2,2-tetramethylpropane-1,3-diamine?
The InChIKey is PJKKBGXIQXCINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-6-15-9-7-8-13-10-12(2,3)11-14(4)5/h13H,6-11H2,1-5H3.
What are the key properties of N'-(3-ethoxypropyl)-N,N,2,2-tetramethylpropane-1,3-diamine?
N'-(3-ethoxypropyl)-N,N,2,2-tetramethylpropane-1,3-diamine has a molecular weight of 216.37 g/mol, XLogP of 1.59, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-ethoxypropyl)-N,N,2,2-tetramethylpropane-1,3-diamine is sourced from PubChem (CID 65176530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).