N-(2-ethoxyethyl)-1-methoxy-N,N'-dimethylpropane-1,3-diamine

C10H24N2O2 — CID 88829947

IUPACN-(2-ethoxyethyl)-1-methoxy-N,N'-dimethylpropane-1,3-diamine
SMILESCCOCCN(C)C(CCNC)OC
InChIInChI=1S/C10H24N2O2/c1-5-14-9-8-12(3)10(13-4)6-7-11-2/h10-11H,5-9H2,1-4H3
InChIKeyJMTIIVFCGWMPLP-UHFFFAOYSA-N
MW204.31 g/mol
LogP0.54
Rot. Bonds9

About N-(2-ethoxyethyl)-1-methoxy-N,N'-dimethylpropane-1,3-diamine

N-(2-ethoxyethyl)-1-methoxy-N,N'-dimethylpropane-1,3-diamine (PubChem CID 88829947) has the molecular formula C10H24N2O2 and a molecular weight of 204.31 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-1-methoxy-N,N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-1-methoxy-N,N'-dimethylpropane-1,3-diamine
PubChem CID88829947
Molecular FormulaC10H24N2O2
Molecular Weight204.31 g/mol
Exact Mass204.18
IUPAC NameN-(2-ethoxyethyl)-1-methoxy-N,N'-dimethylpropane-1,3-diamine
SMILESCCOCCN(C)C(CCNC)OC
InChIInChI=1S/C10H24N2O2/c1-5-14-9-8-12(3)10(13-4)6-7-11-2/h10-11H,5-9H2,1-4H3
InChIKeyJMTIIVFCGWMPLP-UHFFFAOYSA-N
XLogP0.54
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 50.54
H-Bond Donors ≤ 51
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'}

Analyze N-(2-ethoxyethyl)-1-methoxy-N,N'-dimethylpropane-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-(2-ethoxyethyl)-1-methoxy-N,N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-(2-ethoxyethyl)-1-methoxy-N,N'-dimethylpropane-1,3-diamine (CID 88829947) is N-(2-ethoxyethyl)-1-methoxy-N,N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-(2-ethoxyethyl)-1-methoxy-N,N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-(2-ethoxyethyl)-1-methoxy-N,N'-dimethylpropane-1,3-diamine is CCOCCN(C)C(CCNC)OC.
What is the InChIKey of N-(2-ethoxyethyl)-1-methoxy-N,N'-dimethylpropane-1,3-diamine?
The InChIKey is JMTIIVFCGWMPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O2/c1-5-14-9-8-12(3)10(13-4)6-7-11-2/h10-11H,5-9H2,1-4H3.
What are the key properties of N-(2-ethoxyethyl)-1-methoxy-N,N'-dimethylpropane-1,3-diamine?
N-(2-ethoxyethyl)-1-methoxy-N,N'-dimethylpropane-1,3-diamine has a molecular weight of 204.31 g/mol, XLogP of 0.54, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-1-methoxy-N,N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 88829947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).