1-(2-cyclohexylcyclopropyl)-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine

C15H26F3N3 — CID 109473691

IUPAC1-(2-cyclohexylcyclopropyl)-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine
SMILESCCN/C(=N\CCC(F)(F)F)NC1CC1C1CCCCC1
InChIInChI=1S/C15H26F3N3/c1-2-19-14(20-9-8-15(16,17)18)21-13-10-12(13)11-6-4-3-5-7-11/h11-13H,2-10H2,1H3,(H2,19,20,21)
InChIKeyICHHKAUJAUWEGW-UHFFFAOYSA-N
MW305.39 g/mol
LogP3.46
Rot. Bonds5

About 1-(2-cyclohexylcyclopropyl)-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine

1-(2-cyclohexylcyclopropyl)-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine (PubChem CID 109473691) has the molecular formula C15H26F3N3 and a molecular weight of 305.39 g/mol. Its IUPAC name is 1-(2-cyclohexylcyclopropyl)-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine.

Molecular Properties

Compound Name1-(2-cyclohexylcyclopropyl)-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine
PubChem CID109473691
Molecular FormulaC15H26F3N3
Molecular Weight305.39 g/mol
Exact Mass305.21
IUPAC Name1-(2-cyclohexylcyclopropyl)-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine
SMILESCCN/C(=N\CCC(F)(F)F)NC1CC1C1CCCCC1
InChIInChI=1S/C15H26F3N3/c1-2-19-14(20-9-8-15(16,17)18)21-13-10-12(13)11-6-4-3-5-7-11/h11-13H,2-10H2,1H3,(H2,19,20,21)
InChIKeyICHHKAUJAUWEGW-UHFFFAOYSA-N
XLogP3.46
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylcyclopropyl)-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine?
The IUPAC name of 1-(2-cyclohexylcyclopropyl)-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine (CID 109473691) is 1-(2-cyclohexylcyclopropyl)-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine.
What is the SMILES notation for 1-(2-cyclohexylcyclopropyl)-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine?
The canonical SMILES for 1-(2-cyclohexylcyclopropyl)-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine is CCN/C(=N\CCC(F)(F)F)NC1CC1C1CCCCC1.
What is the InChIKey of 1-(2-cyclohexylcyclopropyl)-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine?
The InChIKey is ICHHKAUJAUWEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3N3/c1-2-19-14(20-9-8-15(16,17)18)21-13-10-12(13)11-6-4-3-5-7-11/h11-13H,2-10H2,1H3,(H2,19,20,21).
What are the key properties of 1-(2-cyclohexylcyclopropyl)-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine?
1-(2-cyclohexylcyclopropyl)-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine has a molecular weight of 305.39 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylcyclopropyl)-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine is sourced from PubChem (CID 109473691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).