1-amino-2-(3-ethoxypropyl)-3-(4,4,4-trifluorobutyl)guanidine

C10H21F3N4O — CID 104888050

IUPAC1-amino-2-(3-ethoxypropyl)-3-(4,4,4-trifluorobutyl)guanidine
SMILESCCOCCC/N=C(\NN)NCCCC(F)(F)F
InChIInChI=1S/C10H21F3N4O/c1-2-18-8-4-7-16-9(17-14)15-6-3-5-10(11,12)13/h2-8,14H2,1H3,(H2,15,16,17)
InChIKeyPZZSVUUWUXAHAH-UHFFFAOYSA-N
MW270.30 g/mol
LogP1.16
Rot. Bonds8

About 1-amino-2-(3-ethoxypropyl)-3-(4,4,4-trifluorobutyl)guanidine

1-amino-2-(3-ethoxypropyl)-3-(4,4,4-trifluorobutyl)guanidine (PubChem CID 104888050) has the molecular formula C10H21F3N4O and a molecular weight of 270.30 g/mol. Its IUPAC name is 1-amino-2-(3-ethoxypropyl)-3-(4,4,4-trifluorobutyl)guanidine.

Molecular Properties

Compound Name1-amino-2-(3-ethoxypropyl)-3-(4,4,4-trifluorobutyl)guanidine
PubChem CID104888050
Molecular FormulaC10H21F3N4O
Molecular Weight270.30 g/mol
Exact Mass270.17
IUPAC Name1-amino-2-(3-ethoxypropyl)-3-(4,4,4-trifluorobutyl)guanidine
SMILESCCOCCC/N=C(\NN)NCCCC(F)(F)F
InChIInChI=1S/C10H21F3N4O/c1-2-18-8-4-7-16-9(17-14)15-6-3-5-10(11,12)13/h2-8,14H2,1H3,(H2,15,16,17)
InChIKeyPZZSVUUWUXAHAH-UHFFFAOYSA-N
XLogP1.16
TPSA71.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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'}

Analyze 1-amino-2-(3-ethoxypropyl)-3-(4,4,4-trifluorobutyl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(3-ethoxypropyl)-3-(4,4,4-trifluorobutyl)guanidine?
The IUPAC name of 1-amino-2-(3-ethoxypropyl)-3-(4,4,4-trifluorobutyl)guanidine (CID 104888050) is 1-amino-2-(3-ethoxypropyl)-3-(4,4,4-trifluorobutyl)guanidine.
What is the SMILES notation for 1-amino-2-(3-ethoxypropyl)-3-(4,4,4-trifluorobutyl)guanidine?
The canonical SMILES for 1-amino-2-(3-ethoxypropyl)-3-(4,4,4-trifluorobutyl)guanidine is CCOCCC/N=C(\NN)NCCCC(F)(F)F.
What is the InChIKey of 1-amino-2-(3-ethoxypropyl)-3-(4,4,4-trifluorobutyl)guanidine?
The InChIKey is PZZSVUUWUXAHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F3N4O/c1-2-18-8-4-7-16-9(17-14)15-6-3-5-10(11,12)13/h2-8,14H2,1H3,(H2,15,16,17).
What are the key properties of 1-amino-2-(3-ethoxypropyl)-3-(4,4,4-trifluorobutyl)guanidine?
1-amino-2-(3-ethoxypropyl)-3-(4,4,4-trifluorobutyl)guanidine has a molecular weight of 270.30 g/mol, XLogP of 1.16, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(3-ethoxypropyl)-3-(4,4,4-trifluorobutyl)guanidine is sourced from PubChem (CID 104888050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).