N'-(2-ethoxyethyl)-N'-methylpropane-1,3-diamine

C8H20N2O — CID 43457090

IUPACN'-(2-ethoxyethyl)-N'-methylpropane-1,3-diamine
SMILESCCOCCN(C)CCCN
InChIInChI=1S/C8H20N2O/c1-3-11-8-7-10(2)6-4-5-9/h3-9H2,1-2H3
InChIKeyAPMZEKAMFQRRLT-UHFFFAOYSA-N
MW160.26 g/mol
LogP0.30
Rot. Bonds7

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

N'-(2-ethoxyethyl)-N'-methylpropane-1,3-diamine (PubChem CID 43457090) has the molecular formula C8H20N2O and a molecular weight of 160.26 g/mol. Its IUPAC name is N'-(2-ethoxyethyl)-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-ethoxyethyl)-N'-methylpropane-1,3-diamine
PubChem CID43457090
Molecular FormulaC8H20N2O
Molecular Weight160.26 g/mol
Exact Mass160.16
IUPAC NameN'-(2-ethoxyethyl)-N'-methylpropane-1,3-diamine
SMILESCCOCCN(C)CCCN
InChIInChI=1S/C8H20N2O/c1-3-11-8-7-10(2)6-4-5-9/h3-9H2,1-2H3
InChIKeyAPMZEKAMFQRRLT-UHFFFAOYSA-N
XLogP0.30
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(2-ethoxyethyl)-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-(2-ethoxyethyl)-N'-methylpropane-1,3-diamine (CID 43457090) is N'-(2-ethoxyethyl)-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-(2-ethoxyethyl)-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-(2-ethoxyethyl)-N'-methylpropane-1,3-diamine is CCOCCN(C)CCCN.
What is the InChIKey of N'-(2-ethoxyethyl)-N'-methylpropane-1,3-diamine?
The InChIKey is APMZEKAMFQRRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O/c1-3-11-8-7-10(2)6-4-5-9/h3-9H2,1-2H3.
What are the key properties of N'-(2-ethoxyethyl)-N'-methylpropane-1,3-diamine?
N'-(2-ethoxyethyl)-N'-methylpropane-1,3-diamine has a molecular weight of 160.26 g/mol, XLogP of 0.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethoxyethyl)-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 43457090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).