N'-[3-(2-methoxyethoxy)propyl]-N-prop-2-enylmethanimidamide

C10H20N2O2 — CID 137100325

IUPACN'-[3-(2-methoxyethoxy)propyl]-N-prop-2-enylmethanimidamide
SMILESC=CCN/C=N/CCCOCCOC
InChIInChI=1S/C10H20N2O2/c1-3-5-11-10-12-6-4-7-14-9-8-13-2/h3,10H,1,4-9H2,2H3,(H,11,12)
InChIKeyLTIGCRHJZHBPOO-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.84
Rot. Bonds10

About N'-[3-(2-methoxyethoxy)propyl]-N-prop-2-enylmethanimidamide

N'-[3-(2-methoxyethoxy)propyl]-N-prop-2-enylmethanimidamide (PubChem CID 137100325) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is N'-[3-(2-methoxyethoxy)propyl]-N-prop-2-enylmethanimidamide.

Molecular Properties

Compound NameN'-[3-(2-methoxyethoxy)propyl]-N-prop-2-enylmethanimidamide
PubChem CID137100325
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC NameN'-[3-(2-methoxyethoxy)propyl]-N-prop-2-enylmethanimidamide
SMILESC=CCN/C=N/CCCOCCOC
InChIInChI=1S/C10H20N2O2/c1-3-5-11-10-12-6-4-7-14-9-8-13-2/h3,10H,1,4-9H2,2H3,(H,11,12)
InChIKeyLTIGCRHJZHBPOO-UHFFFAOYSA-N
XLogP0.84
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[3-(2-methoxyethoxy)propyl]-N-prop-2-enylmethanimidamide?
The IUPAC name of N'-[3-(2-methoxyethoxy)propyl]-N-prop-2-enylmethanimidamide (CID 137100325) is N'-[3-(2-methoxyethoxy)propyl]-N-prop-2-enylmethanimidamide.
What is the SMILES notation for N'-[3-(2-methoxyethoxy)propyl]-N-prop-2-enylmethanimidamide?
The canonical SMILES for N'-[3-(2-methoxyethoxy)propyl]-N-prop-2-enylmethanimidamide is C=CCN/C=N/CCCOCCOC.
What is the InChIKey of N'-[3-(2-methoxyethoxy)propyl]-N-prop-2-enylmethanimidamide?
The InChIKey is LTIGCRHJZHBPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-3-5-11-10-12-6-4-7-14-9-8-13-2/h3,10H,1,4-9H2,2H3,(H,11,12).
What are the key properties of N'-[3-(2-methoxyethoxy)propyl]-N-prop-2-enylmethanimidamide?
N'-[3-(2-methoxyethoxy)propyl]-N-prop-2-enylmethanimidamide has a molecular weight of 200.28 g/mol, XLogP of 0.84, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(2-methoxyethoxy)propyl]-N-prop-2-enylmethanimidamide is sourced from PubChem (CID 137100325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).