1,1-bis(3-ethoxypropyl)guanidine

C11H25N3O2 — CID 23103996

IUPAC1,1-bis(3-ethoxypropyl)guanidine
SMILES[H]/N=C(\N)N(CCCOCC)CCCOCC
InChIInChI=1S/C11H25N3O2/c1-3-15-9-5-7-14(11(12)13)8-6-10-16-4-2/h3-10H2,1-2H3,(H3,12,13)
InChIKeyVICGPIYDRXGZLH-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.04
Rot. Bonds10

About 1,1-bis(3-ethoxypropyl)guanidine

1,1-bis(3-ethoxypropyl)guanidine (PubChem CID 23103996) has the molecular formula C11H25N3O2 and a molecular weight of 231.34 g/mol. Its IUPAC name is 1,1-bis(3-ethoxypropyl)guanidine.

Molecular Properties

Compound Name1,1-bis(3-ethoxypropyl)guanidine
PubChem CID23103996
Molecular FormulaC11H25N3O2
Molecular Weight231.34 g/mol
Exact Mass231.19
IUPAC Name1,1-bis(3-ethoxypropyl)guanidine
SMILES[H]/N=C(\N)N(CCCOCC)CCCOCC
InChIInChI=1S/C11H25N3O2/c1-3-15-9-5-7-14(11(12)13)8-6-10-16-4-2/h3-10H2,1-2H3,(H3,12,13)
InChIKeyVICGPIYDRXGZLH-UHFFFAOYSA-N
XLogP1.04
TPSA71.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.04
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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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(3-ethoxypropyl)guanidine?
The IUPAC name of 1,1-bis(3-ethoxypropyl)guanidine (CID 23103996) is 1,1-bis(3-ethoxypropyl)guanidine.
What is the SMILES notation for 1,1-bis(3-ethoxypropyl)guanidine?
The canonical SMILES for 1,1-bis(3-ethoxypropyl)guanidine is [H]/N=C(\N)N(CCCOCC)CCCOCC.
What is the InChIKey of 1,1-bis(3-ethoxypropyl)guanidine?
The InChIKey is VICGPIYDRXGZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2/c1-3-15-9-5-7-14(11(12)13)8-6-10-16-4-2/h3-10H2,1-2H3,(H3,12,13).
What are the key properties of 1,1-bis(3-ethoxypropyl)guanidine?
1,1-bis(3-ethoxypropyl)guanidine has a molecular weight of 231.34 g/mol, XLogP of 1.04, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(3-ethoxypropyl)guanidine is sourced from PubChem (CID 23103996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).