N,N'-diethoxypropane-1,3-diamine

C7H18N2O2 — CID 57252427

IUPACN,N'-diethoxypropane-1,3-diamine
SMILESCCONCCCNOCC
InChIInChI=1S/C7H18N2O2/c1-3-10-8-6-5-7-9-11-4-2/h8-9H,3-7H2,1-2H3
InChIKeyPCIFPTNLPYDRLN-UHFFFAOYSA-N
MW162.23 g/mol
LogP0.46
Rot. Bonds8

About N,N'-diethoxypropane-1,3-diamine

N,N'-diethoxypropane-1,3-diamine (PubChem CID 57252427) has the molecular formula C7H18N2O2 and a molecular weight of 162.23 g/mol. Its IUPAC name is N,N'-diethoxypropane-1,3-diamine.

Molecular Properties

Compound NameN,N'-diethoxypropane-1,3-diamine
PubChem CID57252427
Molecular FormulaC7H18N2O2
Molecular Weight162.23 g/mol
Exact Mass162.14
IUPAC NameN,N'-diethoxypropane-1,3-diamine
SMILESCCONCCCNOCC
InChIInChI=1S/C7H18N2O2/c1-3-10-8-6-5-7-9-11-4-2/h8-9H,3-7H2,1-2H3
InChIKeyPCIFPTNLPYDRLN-UHFFFAOYSA-N
XLogP0.46
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N,N'-diethoxypropane-1,3-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,N'-diethoxypropane-1,3-diamine?
The IUPAC name of N,N'-diethoxypropane-1,3-diamine (CID 57252427) is N,N'-diethoxypropane-1,3-diamine.
What is the SMILES notation for N,N'-diethoxypropane-1,3-diamine?
The canonical SMILES for N,N'-diethoxypropane-1,3-diamine is CCONCCCNOCC.
What is the InChIKey of N,N'-diethoxypropane-1,3-diamine?
The InChIKey is PCIFPTNLPYDRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O2/c1-3-10-8-6-5-7-9-11-4-2/h8-9H,3-7H2,1-2H3.
What are the key properties of N,N'-diethoxypropane-1,3-diamine?
N,N'-diethoxypropane-1,3-diamine has a molecular weight of 162.23 g/mol, XLogP of 0.46, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diethoxypropane-1,3-diamine is sourced from PubChem (CID 57252427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).