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

C14H28N4O — CID 55064203

IUPAC1-cyclohexyl-2-(3-morpholin-4-ylpropyl)guanidine
SMILESN/C(=N\CCCN1CCOCC1)NC1CCCCC1
InChIInChI=1S/C14H28N4O/c15-14(17-13-5-2-1-3-6-13)16-7-4-8-18-9-11-19-12-10-18/h13H,1-12H2,(H3,15,16,17)
InChIKeyPGAOHEDEOCYPHU-UHFFFAOYSA-N
MW268.40 g/mol
LogP0.95
Rot. Bonds5

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

1-cyclohexyl-2-(3-morpholin-4-ylpropyl)guanidine (PubChem CID 55064203) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-cyclohexyl-2-(3-morpholin-4-ylpropyl)guanidine.

Molecular Properties

Compound Name1-cyclohexyl-2-(3-morpholin-4-ylpropyl)guanidine
PubChem CID55064203
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC Name1-cyclohexyl-2-(3-morpholin-4-ylpropyl)guanidine
SMILESN/C(=N\CCCN1CCOCC1)NC1CCCCC1
InChIInChI=1S/C14H28N4O/c15-14(17-13-5-2-1-3-6-13)16-7-4-8-18-9-11-19-12-10-18/h13H,1-12H2,(H3,15,16,17)
InChIKeyPGAOHEDEOCYPHU-UHFFFAOYSA-N
XLogP0.95
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-morpholin-4-ylpropyl)guanidine?
The IUPAC name of 1-cyclohexyl-2-(3-morpholin-4-ylpropyl)guanidine (CID 55064203) is 1-cyclohexyl-2-(3-morpholin-4-ylpropyl)guanidine.
What is the SMILES notation for 1-cyclohexyl-2-(3-morpholin-4-ylpropyl)guanidine?
The canonical SMILES for 1-cyclohexyl-2-(3-morpholin-4-ylpropyl)guanidine is N/C(=N\CCCN1CCOCC1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(3-morpholin-4-ylpropyl)guanidine?
The InChIKey is PGAOHEDEOCYPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O/c15-14(17-13-5-2-1-3-6-13)16-7-4-8-18-9-11-19-12-10-18/h13H,1-12H2,(H3,15,16,17).
What are the key properties of 1-cyclohexyl-2-(3-morpholin-4-ylpropyl)guanidine?
1-cyclohexyl-2-(3-morpholin-4-ylpropyl)guanidine has a molecular weight of 268.40 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(3-morpholin-4-ylpropyl)guanidine is sourced from PubChem (CID 55064203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).