1-cyclohexyl-2-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)guanidine

C14H25F3N4O — CID 120973863

IUPAC1-cyclohexyl-2-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)guanidine
SMILESN/C(=N\CC(N1CCOCC1)C(F)(F)F)NC1CCCCC1
InChIInChI=1S/C14H25F3N4O/c15-14(16,17)12(21-6-8-22-9-7-21)10-19-13(18)20-11-4-2-1-3-5-11/h11-12H,1-10H2,(H3,18,19,20)
InChIKeyNOLKYPUJOPOQCO-UHFFFAOYSA-N
MW322.38 g/mol
LogP1.49
Rot. Bonds4

About 1-cyclohexyl-2-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)guanidine

1-cyclohexyl-2-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)guanidine (PubChem CID 120973863) has the molecular formula C14H25F3N4O and a molecular weight of 322.38 g/mol. Its IUPAC name is 1-cyclohexyl-2-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)guanidine.

Molecular Properties

Compound Name1-cyclohexyl-2-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)guanidine
PubChem CID120973863
Molecular FormulaC14H25F3N4O
Molecular Weight322.38 g/mol
Exact Mass322.20
IUPAC Name1-cyclohexyl-2-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)guanidine
SMILESN/C(=N\CC(N1CCOCC1)C(F)(F)F)NC1CCCCC1
InChIInChI=1S/C14H25F3N4O/c15-14(16,17)12(21-6-8-22-9-7-21)10-19-13(18)20-11-4-2-1-3-5-11/h11-12H,1-10H2,(H3,18,19,20)
InChIKeyNOLKYPUJOPOQCO-UHFFFAOYSA-N
XLogP1.49
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-cyclohexyl-2-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)guanidine?
The IUPAC name of 1-cyclohexyl-2-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)guanidine (CID 120973863) is 1-cyclohexyl-2-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)guanidine.
What is the SMILES notation for 1-cyclohexyl-2-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)guanidine?
The canonical SMILES for 1-cyclohexyl-2-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)guanidine is N/C(=N\CC(N1CCOCC1)C(F)(F)F)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)guanidine?
The InChIKey is NOLKYPUJOPOQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N4O/c15-14(16,17)12(21-6-8-22-9-7-21)10-19-13(18)20-11-4-2-1-3-5-11/h11-12H,1-10H2,(H3,18,19,20).
What are the key properties of 1-cyclohexyl-2-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)guanidine?
1-cyclohexyl-2-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)guanidine has a molecular weight of 322.38 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)guanidine is sourced from PubChem (CID 120973863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).