1-ethyl-2-[(1-ethylcyclopentyl)methyl]-3-(3,3,3-trifluoropropyl)guanidine

C14H26F3N3 — CID 109473305

IUPAC1-ethyl-2-[(1-ethylcyclopentyl)methyl]-3-(3,3,3-trifluoropropyl)guanidine
SMILESCCN/C(=N\CC1(CC)CCCC1)NCCC(F)(F)F
InChIInChI=1S/C14H26F3N3/c1-3-13(7-5-6-8-13)11-20-12(18-4-2)19-10-9-14(15,16)17/h3-11H2,1-2H3,(H2,18,19,20)
InChIKeySCTLTFBOEUQHKW-UHFFFAOYSA-N
MW293.38 g/mol
LogP3.46
Rot. Bonds6

About 1-ethyl-2-[(1-ethylcyclopentyl)methyl]-3-(3,3,3-trifluoropropyl)guanidine

1-ethyl-2-[(1-ethylcyclopentyl)methyl]-3-(3,3,3-trifluoropropyl)guanidine (PubChem CID 109473305) has the molecular formula C14H26F3N3 and a molecular weight of 293.38 g/mol. Its IUPAC name is 1-ethyl-2-[(1-ethylcyclopentyl)methyl]-3-(3,3,3-trifluoropropyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[(1-ethylcyclopentyl)methyl]-3-(3,3,3-trifluoropropyl)guanidine
PubChem CID109473305
Molecular FormulaC14H26F3N3
Molecular Weight293.38 g/mol
Exact Mass293.21
IUPAC Name1-ethyl-2-[(1-ethylcyclopentyl)methyl]-3-(3,3,3-trifluoropropyl)guanidine
SMILESCCN/C(=N\CC1(CC)CCCC1)NCCC(F)(F)F
InChIInChI=1S/C14H26F3N3/c1-3-13(7-5-6-8-13)11-20-12(18-4-2)19-10-9-14(15,16)17/h3-11H2,1-2H3,(H2,18,19,20)
InChIKeySCTLTFBOEUQHKW-UHFFFAOYSA-N
XLogP3.46
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-ethyl-2-[(1-ethylcyclopentyl)methyl]-3-(3,3,3-trifluoropropyl)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-ethyl-2-[(1-ethylcyclopentyl)methyl]-3-(3,3,3-trifluoropropyl)guanidine?
The IUPAC name of 1-ethyl-2-[(1-ethylcyclopentyl)methyl]-3-(3,3,3-trifluoropropyl)guanidine (CID 109473305) is 1-ethyl-2-[(1-ethylcyclopentyl)methyl]-3-(3,3,3-trifluoropropyl)guanidine.
What is the SMILES notation for 1-ethyl-2-[(1-ethylcyclopentyl)methyl]-3-(3,3,3-trifluoropropyl)guanidine?
The canonical SMILES for 1-ethyl-2-[(1-ethylcyclopentyl)methyl]-3-(3,3,3-trifluoropropyl)guanidine is CCN/C(=N\CC1(CC)CCCC1)NCCC(F)(F)F.
What is the InChIKey of 1-ethyl-2-[(1-ethylcyclopentyl)methyl]-3-(3,3,3-trifluoropropyl)guanidine?
The InChIKey is SCTLTFBOEUQHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3N3/c1-3-13(7-5-6-8-13)11-20-12(18-4-2)19-10-9-14(15,16)17/h3-11H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-ethyl-2-[(1-ethylcyclopentyl)methyl]-3-(3,3,3-trifluoropropyl)guanidine?
1-ethyl-2-[(1-ethylcyclopentyl)methyl]-3-(3,3,3-trifluoropropyl)guanidine has a molecular weight of 293.38 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(1-ethylcyclopentyl)methyl]-3-(3,3,3-trifluoropropyl)guanidine is sourced from PubChem (CID 109473305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).