1-amino-2-(3-ethoxypropyl)-3-(2-methoxyethyl)guanidine

C9H22N4O2 — CID 104882810

IUPAC1-amino-2-(3-ethoxypropyl)-3-(2-methoxyethyl)guanidine
SMILESCCOCCC/N=C(/NN)NCCOC
InChIInChI=1S/C9H22N4O2/c1-3-15-7-4-5-11-9(13-10)12-6-8-14-2/h3-8,10H2,1-2H3,(H2,11,12,13)
InChIKeyDNJZHLFIRWSJKS-UHFFFAOYSA-N
MW218.30 g/mol
LogP-0.53
Rot. Bonds8

About 1-amino-2-(3-ethoxypropyl)-3-(2-methoxyethyl)guanidine

1-amino-2-(3-ethoxypropyl)-3-(2-methoxyethyl)guanidine (PubChem CID 104882810) has the molecular formula C9H22N4O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-amino-2-(3-ethoxypropyl)-3-(2-methoxyethyl)guanidine.

Molecular Properties

Compound Name1-amino-2-(3-ethoxypropyl)-3-(2-methoxyethyl)guanidine
PubChem CID104882810
Molecular FormulaC9H22N4O2
Molecular Weight218.30 g/mol
Exact Mass218.17
IUPAC Name1-amino-2-(3-ethoxypropyl)-3-(2-methoxyethyl)guanidine
SMILESCCOCCC/N=C(/NN)NCCOC
InChIInChI=1S/C9H22N4O2/c1-3-15-7-4-5-11-9(13-10)12-6-8-14-2/h3-8,10H2,1-2H3,(H2,11,12,13)
InChIKeyDNJZHLFIRWSJKS-UHFFFAOYSA-N
XLogP-0.53
TPSA80.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(3-ethoxypropyl)-3-(2-methoxyethyl)guanidine?
The IUPAC name of 1-amino-2-(3-ethoxypropyl)-3-(2-methoxyethyl)guanidine (CID 104882810) is 1-amino-2-(3-ethoxypropyl)-3-(2-methoxyethyl)guanidine.
What is the SMILES notation for 1-amino-2-(3-ethoxypropyl)-3-(2-methoxyethyl)guanidine?
The canonical SMILES for 1-amino-2-(3-ethoxypropyl)-3-(2-methoxyethyl)guanidine is CCOCCC/N=C(/NN)NCCOC.
What is the InChIKey of 1-amino-2-(3-ethoxypropyl)-3-(2-methoxyethyl)guanidine?
The InChIKey is DNJZHLFIRWSJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N4O2/c1-3-15-7-4-5-11-9(13-10)12-6-8-14-2/h3-8,10H2,1-2H3,(H2,11,12,13).
What are the key properties of 1-amino-2-(3-ethoxypropyl)-3-(2-methoxyethyl)guanidine?
1-amino-2-(3-ethoxypropyl)-3-(2-methoxyethyl)guanidine has a molecular weight of 218.30 g/mol, XLogP of -0.53, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(3-ethoxypropyl)-3-(2-methoxyethyl)guanidine is sourced from PubChem (CID 104882810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).