2-N-(4-ethoxybutyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine

C12H28N2O — CID 103109664

IUPAC2-N-(4-ethoxybutyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine
SMILESCCOCCCCNC(C)CN(C)CC
InChIInChI=1S/C12H28N2O/c1-5-14(4)11-12(3)13-9-7-8-10-15-6-2/h12-13H,5-11H2,1-4H3
InChIKeyHTODMYOWWBIITR-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.73
Rot. Bonds10

About 2-N-(4-ethoxybutyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine

2-N-(4-ethoxybutyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine (PubChem CID 103109664) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is 2-N-(4-ethoxybutyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(4-ethoxybutyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine
PubChem CID103109664
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Name2-N-(4-ethoxybutyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine
SMILESCCOCCCCNC(C)CN(C)CC
InChIInChI=1S/C12H28N2O/c1-5-14(4)11-12(3)13-9-7-8-10-15-6-2/h12-13H,5-11H2,1-4H3
InChIKeyHTODMYOWWBIITR-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-N-(4-ethoxybutyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-(3-ethoxypropyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine
CID 103109645
2-N-(3-ethoxypropyl)-1-N,1-N-diethylpropane-1,2-diamine
CID 65175830
1-N-ethyl-1-N-methyl-2-N-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,2-diamine
CID 103208202
1-(4-ethoxybutylamino)-2-[methyl(2-methylpropyl)amino]ethanol
CID 155034840
5-[1-[ethyl(methyl)amino]propan-2-ylamino]pentan-2-ol
CID 103110031
N-(3-ethoxypropyl)butan-2-amine
CID 43196213
4-[2-(2-ethoxyethoxy)ethoxy]-N-propan-2-ylbutan-1-amine
CID 146693023
N'-(4-ethoxybutyl)-N'-ethyl-N-propan-2-ylpropane-1,3-diamine;molecular hydrogen
CID 156884797
2-N-(cyclohexylmethyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine
CID 103109993
1-ethoxy-N-[3-(2-methoxyethoxy)propyl]propan-2-amine
CID 115707889
4-ethoxy-N-[1-(oxolan-2-yl)propan-2-yl]butan-1-amine
CID 115710165
2-N-[(4-butylcyclohexyl)methyl]-1-N-ethyl-1-N-methylpropane-1,2-diamine
CID 103109683

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-ethoxybutyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine?
The IUPAC name of 2-N-(4-ethoxybutyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine (CID 103109664) is 2-N-(4-ethoxybutyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(4-ethoxybutyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-(4-ethoxybutyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine is CCOCCCCNC(C)CN(C)CC.
What is the InChIKey of 2-N-(4-ethoxybutyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine?
The InChIKey is HTODMYOWWBIITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-5-14(4)11-12(3)13-9-7-8-10-15-6-2/h12-13H,5-11H2,1-4H3.
What are the key properties of 2-N-(4-ethoxybutyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine?
2-N-(4-ethoxybutyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine has a molecular weight of 216.37 g/mol, XLogP of 1.73, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-ethoxybutyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine is sourced from PubChem (CID 103109664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).