2-cyclopropyl-1,1-bis(2-ethoxyethyl)guanidine

C12H25N3O2 — CID 82960707

IUPAC2-cyclopropyl-1,1-bis(2-ethoxyethyl)guanidine
SMILESCCOCCN(CCOCC)/C(N)=N/C1CC1
InChIInChI=1S/C12H25N3O2/c1-3-16-9-7-15(8-10-17-4-2)12(13)14-11-5-6-11/h11H,3-10H2,1-2H3,(H2,13,14)
InChIKeyDEMJOQJRSZGDIH-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.84
Rot. Bonds9

About 2-cyclopropyl-1,1-bis(2-ethoxyethyl)guanidine

2-cyclopropyl-1,1-bis(2-ethoxyethyl)guanidine (PubChem CID 82960707) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-cyclopropyl-1,1-bis(2-ethoxyethyl)guanidine.

Molecular Properties

Compound Name2-cyclopropyl-1,1-bis(2-ethoxyethyl)guanidine
PubChem CID82960707
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name2-cyclopropyl-1,1-bis(2-ethoxyethyl)guanidine
SMILESCCOCCN(CCOCC)/C(N)=N/C1CC1
InChIInChI=1S/C12H25N3O2/c1-3-16-9-7-15(8-10-17-4-2)12(13)14-11-5-6-11/h11H,3-10H2,1-2H3,(H2,13,14)
InChIKeyDEMJOQJRSZGDIH-UHFFFAOYSA-N
XLogP0.84
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1,1-bis(2-ethoxyethyl)guanidine?
The IUPAC name of 2-cyclopropyl-1,1-bis(2-ethoxyethyl)guanidine (CID 82960707) is 2-cyclopropyl-1,1-bis(2-ethoxyethyl)guanidine.
What is the SMILES notation for 2-cyclopropyl-1,1-bis(2-ethoxyethyl)guanidine?
The canonical SMILES for 2-cyclopropyl-1,1-bis(2-ethoxyethyl)guanidine is CCOCCN(CCOCC)/C(N)=N/C1CC1.
What is the InChIKey of 2-cyclopropyl-1,1-bis(2-ethoxyethyl)guanidine?
The InChIKey is DEMJOQJRSZGDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-3-16-9-7-15(8-10-17-4-2)12(13)14-11-5-6-11/h11H,3-10H2,1-2H3,(H2,13,14).
What are the key properties of 2-cyclopropyl-1,1-bis(2-ethoxyethyl)guanidine?
2-cyclopropyl-1,1-bis(2-ethoxyethyl)guanidine has a molecular weight of 243.35 g/mol, XLogP of 0.84, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1,1-bis(2-ethoxyethyl)guanidine is sourced from PubChem (CID 82960707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).