1-methoxy-N-(2-methoxyethyl)propane-1,3-diamine

C7H18N2O2 — CID 88668248

IUPAC1-methoxy-N-(2-methoxyethyl)propane-1,3-diamine
SMILESCOCCNC(CCN)OC
InChIInChI=1S/C7H18N2O2/c1-10-6-5-9-7(11-2)3-4-8/h7,9H,3-6,8H2,1-2H3
InChIKeyYANICSZSMKHZGJ-UHFFFAOYSA-N
MW162.23 g/mol
LogP-0.46
Rot. Bonds7

About 1-methoxy-N-(2-methoxyethyl)propane-1,3-diamine

1-methoxy-N-(2-methoxyethyl)propane-1,3-diamine (PubChem CID 88668248) has the molecular formula C7H18N2O2 and a molecular weight of 162.23 g/mol. Its IUPAC name is 1-methoxy-N-(2-methoxyethyl)propane-1,3-diamine.

Molecular Properties

Compound Name1-methoxy-N-(2-methoxyethyl)propane-1,3-diamine
PubChem CID88668248
Molecular FormulaC7H18N2O2
Molecular Weight162.23 g/mol
Exact Mass162.14
IUPAC Name1-methoxy-N-(2-methoxyethyl)propane-1,3-diamine
SMILESCOCCNC(CCN)OC
InChIInChI=1S/C7H18N2O2/c1-10-6-5-9-7(11-2)3-4-8/h7,9H,3-6,8H2,1-2H3
InChIKeyYANICSZSMKHZGJ-UHFFFAOYSA-N
XLogP-0.46
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 5-0.46
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-(2-methoxyethyl)propane-1,3-diamine?
The IUPAC name of 1-methoxy-N-(2-methoxyethyl)propane-1,3-diamine (CID 88668248) is 1-methoxy-N-(2-methoxyethyl)propane-1,3-diamine.
What is the SMILES notation for 1-methoxy-N-(2-methoxyethyl)propane-1,3-diamine?
The canonical SMILES for 1-methoxy-N-(2-methoxyethyl)propane-1,3-diamine is COCCNC(CCN)OC.
What is the InChIKey of 1-methoxy-N-(2-methoxyethyl)propane-1,3-diamine?
The InChIKey is YANICSZSMKHZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O2/c1-10-6-5-9-7(11-2)3-4-8/h7,9H,3-6,8H2,1-2H3.
What are the key properties of 1-methoxy-N-(2-methoxyethyl)propane-1,3-diamine?
1-methoxy-N-(2-methoxyethyl)propane-1,3-diamine has a molecular weight of 162.23 g/mol, XLogP of -0.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-(2-methoxyethyl)propane-1,3-diamine is sourced from PubChem (CID 88668248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).