2-cyclopropyl-1-(2-methoxyethyl)-1-(3-methoxypropyl)guanidine

C11H23N3O2 — CID 62362349

IUPAC2-cyclopropyl-1-(2-methoxyethyl)-1-(3-methoxypropyl)guanidine
SMILESCOCCCN(CCOC)/C(N)=N/C1CC1
InChIInChI=1S/C11H23N3O2/c1-15-8-3-6-14(7-9-16-2)11(12)13-10-4-5-10/h10H,3-9H2,1-2H3,(H2,12,13)
InChIKeyDLHMLWISWHRJDN-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.45
Rot. Bonds8

About 2-cyclopropyl-1-(2-methoxyethyl)-1-(3-methoxypropyl)guanidine

2-cyclopropyl-1-(2-methoxyethyl)-1-(3-methoxypropyl)guanidine (PubChem CID 62362349) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-cyclopropyl-1-(2-methoxyethyl)-1-(3-methoxypropyl)guanidine.

Molecular Properties

Compound Name2-cyclopropyl-1-(2-methoxyethyl)-1-(3-methoxypropyl)guanidine
PubChem CID62362349
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name2-cyclopropyl-1-(2-methoxyethyl)-1-(3-methoxypropyl)guanidine
SMILESCOCCCN(CCOC)/C(N)=N/C1CC1
InChIInChI=1S/C11H23N3O2/c1-15-8-3-6-14(7-9-16-2)11(12)13-10-4-5-10/h10H,3-9H2,1-2H3,(H2,12,13)
InChIKeyDLHMLWISWHRJDN-UHFFFAOYSA-N
XLogP0.45
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.45
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(2-methoxyethyl)-1-(3-methoxypropyl)guanidine?
The IUPAC name of 2-cyclopropyl-1-(2-methoxyethyl)-1-(3-methoxypropyl)guanidine (CID 62362349) is 2-cyclopropyl-1-(2-methoxyethyl)-1-(3-methoxypropyl)guanidine.
What is the SMILES notation for 2-cyclopropyl-1-(2-methoxyethyl)-1-(3-methoxypropyl)guanidine?
The canonical SMILES for 2-cyclopropyl-1-(2-methoxyethyl)-1-(3-methoxypropyl)guanidine is COCCCN(CCOC)/C(N)=N/C1CC1.
What is the InChIKey of 2-cyclopropyl-1-(2-methoxyethyl)-1-(3-methoxypropyl)guanidine?
The InChIKey is DLHMLWISWHRJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-15-8-3-6-14(7-9-16-2)11(12)13-10-4-5-10/h10H,3-9H2,1-2H3,(H2,12,13).
What are the key properties of 2-cyclopropyl-1-(2-methoxyethyl)-1-(3-methoxypropyl)guanidine?
2-cyclopropyl-1-(2-methoxyethyl)-1-(3-methoxypropyl)guanidine has a molecular weight of 229.32 g/mol, XLogP of 0.45, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(2-methoxyethyl)-1-(3-methoxypropyl)guanidine is sourced from PubChem (CID 62362349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).