N-(ethoxymethyl)-N'-(propoxymethyl)but-2-ene-1,4-diamine

C11H24N2O2 — CID 58637162

IUPACN-(ethoxymethyl)-N'-(propoxymethyl)but-2-ene-1,4-diamine
SMILESCCCOCNCC=CCNCOCC
InChIInChI=1S/C11H24N2O2/c1-3-9-15-11-13-8-6-5-7-12-10-14-4-2/h5-6,12-13H,3-4,7-11H2,1-2H3
InChIKeyNHLFYKRYJKNFDU-UHFFFAOYSA-N
MW216.32 g/mol
LogP1.10
Rot. Bonds11

About N-(ethoxymethyl)-N'-(propoxymethyl)but-2-ene-1,4-diamine

N-(ethoxymethyl)-N'-(propoxymethyl)but-2-ene-1,4-diamine (PubChem CID 58637162) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is N-(ethoxymethyl)-N'-(propoxymethyl)but-2-ene-1,4-diamine.

Molecular Properties

Compound NameN-(ethoxymethyl)-N'-(propoxymethyl)but-2-ene-1,4-diamine
PubChem CID58637162
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC NameN-(ethoxymethyl)-N'-(propoxymethyl)but-2-ene-1,4-diamine
SMILESCCCOCNCC=CCNCOCC
InChIInChI=1S/C11H24N2O2/c1-3-9-15-11-13-8-6-5-7-12-10-14-4-2/h5-6,12-13H,3-4,7-11H2,1-2H3
InChIKeyNHLFYKRYJKNFDU-UHFFFAOYSA-N
XLogP1.10
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-(ethoxymethyl)-N'-(propoxymethyl)but-2-ene-1,4-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-(ethoxymethyl)-N'-(propoxymethyl)but-2-ene-1,4-diamine?
The IUPAC name of N-(ethoxymethyl)-N'-(propoxymethyl)but-2-ene-1,4-diamine (CID 58637162) is N-(ethoxymethyl)-N'-(propoxymethyl)but-2-ene-1,4-diamine.
What is the SMILES notation for N-(ethoxymethyl)-N'-(propoxymethyl)but-2-ene-1,4-diamine?
The canonical SMILES for N-(ethoxymethyl)-N'-(propoxymethyl)but-2-ene-1,4-diamine is CCCOCNCC=CCNCOCC.
What is the InChIKey of N-(ethoxymethyl)-N'-(propoxymethyl)but-2-ene-1,4-diamine?
The InChIKey is NHLFYKRYJKNFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-3-9-15-11-13-8-6-5-7-12-10-14-4-2/h5-6,12-13H,3-4,7-11H2,1-2H3.
What are the key properties of N-(ethoxymethyl)-N'-(propoxymethyl)but-2-ene-1,4-diamine?
N-(ethoxymethyl)-N'-(propoxymethyl)but-2-ene-1,4-diamine has a molecular weight of 216.32 g/mol, XLogP of 1.10, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethoxymethyl)-N'-(propoxymethyl)but-2-ene-1,4-diamine is sourced from PubChem (CID 58637162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).