2-[3-(2-methoxyethoxy)propyl]-1-prop-2-enylguanidine

C10H21N3O2 — CID 136678005

IUPAC2-[3-(2-methoxyethoxy)propyl]-1-prop-2-enylguanidine
SMILESC=CCN/C(N)=N/CCCOCCOC
InChIInChI=1S/C10H21N3O2/c1-3-5-12-10(11)13-6-4-7-15-9-8-14-2/h3H,1,4-9H2,2H3,(H3,11,12,13)
InChIKeyJTKRJFFHDJWSPD-UHFFFAOYSA-N
MW215.30 g/mol
LogP0.13
Rot. Bonds9

About 2-[3-(2-methoxyethoxy)propyl]-1-prop-2-enylguanidine

2-[3-(2-methoxyethoxy)propyl]-1-prop-2-enylguanidine (PubChem CID 136678005) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-[3-(2-methoxyethoxy)propyl]-1-prop-2-enylguanidine.

Molecular Properties

Compound Name2-[3-(2-methoxyethoxy)propyl]-1-prop-2-enylguanidine
PubChem CID136678005
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name2-[3-(2-methoxyethoxy)propyl]-1-prop-2-enylguanidine
SMILESC=CCN/C(N)=N/CCCOCCOC
InChIInChI=1S/C10H21N3O2/c1-3-5-12-10(11)13-6-4-7-15-9-8-14-2/h3H,1,4-9H2,2H3,(H3,11,12,13)
InChIKeyJTKRJFFHDJWSPD-UHFFFAOYSA-N
XLogP0.13
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 50.13
H-Bond Donors ≤ 52
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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Related Compounds

1-Prop-2-enyl-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
CID 136700094
1-Ethyl-3-prop-2-enyl-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
CID 136925492
N'-[3-(2-methoxyethoxy)propyl]-N-prop-2-enylmethanimidamide
CID 137100325
1-[2-(2-Methoxyethoxy)ethyl]-2-(2-methylprop-2-enyl)guanidine
CID 53619120
3-[3-(2-Methoxyethoxy)propyl]-1,2-dimethyl-1-pent-4-enylguanidine
CID 109497696
3-Ethyl-2-[3-(2-methoxyethoxy)propyl]-1-methyl-1-pent-4-enylguanidine
CID 109497698
2-Methyl-1-[3-(oxolan-3-yloxy)propyl]-3-prop-2-enylguanidine;hydroiodide
CID 109676478
2-Methyl-1-[3-(oxolan-3-yloxy)propyl]-3-prop-2-enylguanidine
CID 109676479
1-[2-(2-Methoxyethoxy)ethyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide
CID 110980342
1-[2-(2-Methoxyethoxy)ethyl]-2-methyl-3-prop-2-enylguanidine
CID 110980343
1-(3-Butoxypropyl)-2-methyl-3-prop-2-enylguanidine;hydroiodide
CID 110981502
1-(3-Butoxypropyl)-2-methyl-3-prop-2-enylguanidine
CID 110981503

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxyethoxy)propyl]-1-prop-2-enylguanidine?
The IUPAC name of 2-[3-(2-methoxyethoxy)propyl]-1-prop-2-enylguanidine (CID 136678005) is 2-[3-(2-methoxyethoxy)propyl]-1-prop-2-enylguanidine.
What is the SMILES notation for 2-[3-(2-methoxyethoxy)propyl]-1-prop-2-enylguanidine?
The canonical SMILES for 2-[3-(2-methoxyethoxy)propyl]-1-prop-2-enylguanidine is C=CCN/C(N)=N/CCCOCCOC.
What is the InChIKey of 2-[3-(2-methoxyethoxy)propyl]-1-prop-2-enylguanidine?
The InChIKey is JTKRJFFHDJWSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-3-5-12-10(11)13-6-4-7-15-9-8-14-2/h3H,1,4-9H2,2H3,(H3,11,12,13).
What are the key properties of 2-[3-(2-methoxyethoxy)propyl]-1-prop-2-enylguanidine?
2-[3-(2-methoxyethoxy)propyl]-1-prop-2-enylguanidine has a molecular weight of 215.30 g/mol, XLogP of 0.13, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxyethoxy)propyl]-1-prop-2-enylguanidine is sourced from PubChem (CID 136678005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).