1-[2-[cyclohexyl(methyl)amino]ethyl]-3-ethyl-2-(3-morpholin-4-ylpropyl)guanidine

C19H39N5O — CID 110971727

IUPAC1-[2-[cyclohexyl(methyl)amino]ethyl]-3-ethyl-2-(3-morpholin-4-ylpropyl)guanidine
SMILESCCN/C(=N\CCCN1CCOCC1)NCCN(C)C1CCCCC1
InChIInChI=1S/C19H39N5O/c1-3-20-19(21-10-7-12-24-14-16-25-17-15-24)22-11-13-23(2)18-8-5-4-6-9-18/h18H,3-17H2,1-2H3,(H2,20,21,22)
InChIKeyHRLNKIYKDRETJJ-UHFFFAOYSA-N
MW353.56 g/mol
LogP1.53
Rot. Bonds9

About 1-[2-[cyclohexyl(methyl)amino]ethyl]-3-ethyl-2-(3-morpholin-4-ylpropyl)guanidine

1-[2-[cyclohexyl(methyl)amino]ethyl]-3-ethyl-2-(3-morpholin-4-ylpropyl)guanidine (PubChem CID 110971727) has the molecular formula C19H39N5O and a molecular weight of 353.56 g/mol. Its IUPAC name is 1-[2-[cyclohexyl(methyl)amino]ethyl]-3-ethyl-2-(3-morpholin-4-ylpropyl)guanidine.

Molecular Properties

Compound Name1-[2-[cyclohexyl(methyl)amino]ethyl]-3-ethyl-2-(3-morpholin-4-ylpropyl)guanidine
PubChem CID110971727
Molecular FormulaC19H39N5O
Molecular Weight353.56 g/mol
Exact Mass353.32
IUPAC Name1-[2-[cyclohexyl(methyl)amino]ethyl]-3-ethyl-2-(3-morpholin-4-ylpropyl)guanidine
SMILESCCN/C(=N\CCCN1CCOCC1)NCCN(C)C1CCCCC1
InChIInChI=1S/C19H39N5O/c1-3-20-19(21-10-7-12-24-14-16-25-17-15-24)22-11-13-23(2)18-8-5-4-6-9-18/h18H,3-17H2,1-2H3,(H2,20,21,22)
InChIKeyHRLNKIYKDRETJJ-UHFFFAOYSA-N
XLogP1.53
TPSA52.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.56
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[2-[cyclohexyl(methyl)amino]ethyl]-3-ethyl-2-(3-morpholin-4-ylpropyl)guanidine?
The IUPAC name of 1-[2-[cyclohexyl(methyl)amino]ethyl]-3-ethyl-2-(3-morpholin-4-ylpropyl)guanidine (CID 110971727) is 1-[2-[cyclohexyl(methyl)amino]ethyl]-3-ethyl-2-(3-morpholin-4-ylpropyl)guanidine.
What is the SMILES notation for 1-[2-[cyclohexyl(methyl)amino]ethyl]-3-ethyl-2-(3-morpholin-4-ylpropyl)guanidine?
The canonical SMILES for 1-[2-[cyclohexyl(methyl)amino]ethyl]-3-ethyl-2-(3-morpholin-4-ylpropyl)guanidine is CCN/C(=N\CCCN1CCOCC1)NCCN(C)C1CCCCC1.
What is the InChIKey of 1-[2-[cyclohexyl(methyl)amino]ethyl]-3-ethyl-2-(3-morpholin-4-ylpropyl)guanidine?
The InChIKey is HRLNKIYKDRETJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N5O/c1-3-20-19(21-10-7-12-24-14-16-25-17-15-24)22-11-13-23(2)18-8-5-4-6-9-18/h18H,3-17H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-[2-[cyclohexyl(methyl)amino]ethyl]-3-ethyl-2-(3-morpholin-4-ylpropyl)guanidine?
1-[2-[cyclohexyl(methyl)amino]ethyl]-3-ethyl-2-(3-morpholin-4-ylpropyl)guanidine has a molecular weight of 353.56 g/mol, XLogP of 1.53, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclohexyl(methyl)amino]ethyl]-3-ethyl-2-(3-morpholin-4-ylpropyl)guanidine is sourced from PubChem (CID 110971727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).