N-ethyl-N'-(2-propan-2-yloxyethyl)-N'-propylethane-1,2-diamine

C12H28N2O — CID 154950769

IUPACN-ethyl-N'-(2-propan-2-yloxyethyl)-N'-propylethane-1,2-diamine
SMILESCCCN(CCNCC)CCOC(C)C
InChIInChI=1S/C12H28N2O/c1-5-8-14(9-7-13-6-2)10-11-15-12(3)4/h12-13H,5-11H2,1-4H3
InChIKeyHLSXUQHZIIIERY-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.73
Rot. Bonds10

About N-ethyl-N'-(2-propan-2-yloxyethyl)-N'-propylethane-1,2-diamine

N-ethyl-N'-(2-propan-2-yloxyethyl)-N'-propylethane-1,2-diamine (PubChem CID 154950769) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is N-ethyl-N'-(2-propan-2-yloxyethyl)-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-N'-(2-propan-2-yloxyethyl)-N'-propylethane-1,2-diamine
PubChem CID154950769
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC NameN-ethyl-N'-(2-propan-2-yloxyethyl)-N'-propylethane-1,2-diamine
SMILESCCCN(CCNCC)CCOC(C)C
InChIInChI=1S/C12H28N2O/c1-5-8-14(9-7-13-6-2)10-11-15-12(3)4/h12-13H,5-11H2,1-4H3
InChIKeyHLSXUQHZIIIERY-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 N-ethyl-N'-(2-propan-2-yloxyethyl)-N'-propylethane-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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-(2-propan-2-yloxyethyl)-N'-propylethane-1,2-diamine?
The IUPAC name of N-ethyl-N'-(2-propan-2-yloxyethyl)-N'-propylethane-1,2-diamine (CID 154950769) is N-ethyl-N'-(2-propan-2-yloxyethyl)-N'-propylethane-1,2-diamine.
What is the SMILES notation for N-ethyl-N'-(2-propan-2-yloxyethyl)-N'-propylethane-1,2-diamine?
The canonical SMILES for N-ethyl-N'-(2-propan-2-yloxyethyl)-N'-propylethane-1,2-diamine is CCCN(CCNCC)CCOC(C)C.
What is the InChIKey of N-ethyl-N'-(2-propan-2-yloxyethyl)-N'-propylethane-1,2-diamine?
The InChIKey is HLSXUQHZIIIERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-5-8-14(9-7-13-6-2)10-11-15-12(3)4/h12-13H,5-11H2,1-4H3.
What are the key properties of N-ethyl-N'-(2-propan-2-yloxyethyl)-N'-propylethane-1,2-diamine?
N-ethyl-N'-(2-propan-2-yloxyethyl)-N'-propylethane-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 N-ethyl-N'-(2-propan-2-yloxyethyl)-N'-propylethane-1,2-diamine is sourced from PubChem (CID 154950769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).