1-[3-(2-methoxyethoxy)propyl]-2-(2-methylpropyl)guanidine

C11H25N3O2 — CID 103646279

IUPAC1-[3-(2-methoxyethoxy)propyl]-2-(2-methylpropyl)guanidine
SMILESCOCCOCCCN/C(N)=N/CC(C)C
InChIInChI=1S/C11H25N3O2/c1-10(2)9-14-11(12)13-5-4-6-16-8-7-15-3/h10H,4-9H2,1-3H3,(H3,12,13,14)
InChIKeyKVIYZJXADAOQAE-UHFFFAOYSA-N
MW231.34 g/mol
LogP0.60
Rot. Bonds9

About 1-[3-(2-methoxyethoxy)propyl]-2-(2-methylpropyl)guanidine

1-[3-(2-methoxyethoxy)propyl]-2-(2-methylpropyl)guanidine (PubChem CID 103646279) has the molecular formula C11H25N3O2 and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-[3-(2-methoxyethoxy)propyl]-2-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name1-[3-(2-methoxyethoxy)propyl]-2-(2-methylpropyl)guanidine
PubChem CID103646279
Molecular FormulaC11H25N3O2
Molecular Weight231.34 g/mol
Exact Mass231.19
IUPAC Name1-[3-(2-methoxyethoxy)propyl]-2-(2-methylpropyl)guanidine
SMILESCOCCOCCCN/C(N)=N/CC(C)C
InChIInChI=1S/C11H25N3O2/c1-10(2)9-14-11(12)13-5-4-6-16-8-7-15-3/h10H,4-9H2,1-3H3,(H3,12,13,14)
InChIKeyKVIYZJXADAOQAE-UHFFFAOYSA-N
XLogP0.60
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 50.60
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'}

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Related Compounds

1-[2-(2-butoxyethoxy)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111821808
2-[3-(2-methoxyethoxy)propyl]-1-octylguanidine
CID 111035798
2-[2-(2-methoxyethoxy)ethyl]-1-(2-methoxyethyl)guanidine
CID 110918294
methyl 3-[[amino-(2-methoxyethylamino)methylidene]amino]-2-methylpropanoate
CID 110930535
1-[3-(4-fluorophenoxy)propyl]-2-(2-methylpropyl)guanidine
CID 111088227
2-[[amino-(3-ethoxypropylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide
CID 111037014
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-(5-methylhexan-2-yl)guanidine
CID 111204562
methyl 2-[3-(2-methoxyethoxy)propylamino]propanoate
CID 66173501
1-(3-ethoxypropyl)-2-[2-(2-hydroxyethyl)-4-methylpentyl]guanidine;hydroiodide
CID 111714833
1-[3-(2-methoxyethoxy)propyl]-3-(2-methylpropyl)thiourea
CID 103603991
2-[3-(2-methoxyethoxy)propyl]-1-propan-2-ylguanidine
CID 103646281
2-[[amino-(3-ethoxypropylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 111037013

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxyethoxy)propyl]-2-(2-methylpropyl)guanidine?
The IUPAC name of 1-[3-(2-methoxyethoxy)propyl]-2-(2-methylpropyl)guanidine (CID 103646279) is 1-[3-(2-methoxyethoxy)propyl]-2-(2-methylpropyl)guanidine.
What is the SMILES notation for 1-[3-(2-methoxyethoxy)propyl]-2-(2-methylpropyl)guanidine?
The canonical SMILES for 1-[3-(2-methoxyethoxy)propyl]-2-(2-methylpropyl)guanidine is COCCOCCCN/C(N)=N/CC(C)C.
What is the InChIKey of 1-[3-(2-methoxyethoxy)propyl]-2-(2-methylpropyl)guanidine?
The InChIKey is KVIYZJXADAOQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2/c1-10(2)9-14-11(12)13-5-4-6-16-8-7-15-3/h10H,4-9H2,1-3H3,(H3,12,13,14).
What are the key properties of 1-[3-(2-methoxyethoxy)propyl]-2-(2-methylpropyl)guanidine?
1-[3-(2-methoxyethoxy)propyl]-2-(2-methylpropyl)guanidine has a molecular weight of 231.34 g/mol, XLogP of 0.60, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxyethoxy)propyl]-2-(2-methylpropyl)guanidine is sourced from PubChem (CID 103646279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).