1-ethyl-3-(3-morpholin-4-ylpropyl)-2-(3-phenylpropyl)guanidine

C19H32N4O — CID 110972271

IUPAC1-ethyl-3-(3-morpholin-4-ylpropyl)-2-(3-phenylpropyl)guanidine
SMILESCCN/C(=N\CCCc1ccccc1)NCCCN1CCOCC1
InChIInChI=1S/C19H32N4O/c1-2-20-19(21-11-6-10-18-8-4-3-5-9-18)22-12-7-13-23-14-16-24-17-15-23/h3-5,8-9H,2,6-7,10-17H2,1H3,(H2,20,21,22)
InChIKeyWTWVMFDLAPCABT-UHFFFAOYSA-N
MW332.49 g/mol
LogP1.90
Rot. Bonds9

About 1-ethyl-3-(3-morpholin-4-ylpropyl)-2-(3-phenylpropyl)guanidine

1-ethyl-3-(3-morpholin-4-ylpropyl)-2-(3-phenylpropyl)guanidine (PubChem CID 110972271) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is 1-ethyl-3-(3-morpholin-4-ylpropyl)-2-(3-phenylpropyl)guanidine.

Molecular Properties

Compound Name1-ethyl-3-(3-morpholin-4-ylpropyl)-2-(3-phenylpropyl)guanidine
PubChem CID110972271
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC Name1-ethyl-3-(3-morpholin-4-ylpropyl)-2-(3-phenylpropyl)guanidine
SMILESCCN/C(=N\CCCc1ccccc1)NCCCN1CCOCC1
InChIInChI=1S/C19H32N4O/c1-2-20-19(21-11-6-10-18-8-4-3-5-9-18)22-12-7-13-23-14-16-24-17-15-23/h3-5,8-9H,2,6-7,10-17H2,1H3,(H2,20,21,22)
InChIKeyWTWVMFDLAPCABT-UHFFFAOYSA-N
XLogP1.90
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 51.90
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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Related Compounds

1-ethyl-3-(4-morpholin-4-ylbutyl)-2-(3-phenylpropyl)guanidine
CID 111199504
1-ethyl-3-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(3-phenylpropyl)guanidine
CID 111199010
2-benzyl-1-ethyl-3-(4-morpholin-4-ylbutyl)guanidine
CID 110952780
2-[3-(3,4-dimethoxyphenyl)propyl]-1-ethyl-3-(3-morpholin-4-ylpropyl)guanidine
CID 110971855
2-(3-benzylsulfonylpropyl)-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine
CID 111187965
1-ethyl-2-(3-morpholin-4-ylpropyl)-3-(2-phenoxyethyl)guanidine
CID 110972471
2-(3-benzylsulfonylpropyl)-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111187964
1-ethyl-2-(3-morpholin-4-ylpropyl)-3-(3-phenylbutyl)guanidine
CID 110971895
2-benzyl-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine
CID 110953548
2-[3-(benzenesulfonyl)propyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111187414
1-[2-(2-chlorophenyl)ethyl]-3-ethyl-2-(4-morpholin-4-ylbutyl)guanidine
CID 111883185
1-ethyl-3-[2-(3-methoxyphenyl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine
CID 110973033

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(3-morpholin-4-ylpropyl)-2-(3-phenylpropyl)guanidine?
The IUPAC name of 1-ethyl-3-(3-morpholin-4-ylpropyl)-2-(3-phenylpropyl)guanidine (CID 110972271) is 1-ethyl-3-(3-morpholin-4-ylpropyl)-2-(3-phenylpropyl)guanidine.
What is the SMILES notation for 1-ethyl-3-(3-morpholin-4-ylpropyl)-2-(3-phenylpropyl)guanidine?
The canonical SMILES for 1-ethyl-3-(3-morpholin-4-ylpropyl)-2-(3-phenylpropyl)guanidine is CCN/C(=N\CCCc1ccccc1)NCCCN1CCOCC1.
What is the InChIKey of 1-ethyl-3-(3-morpholin-4-ylpropyl)-2-(3-phenylpropyl)guanidine?
The InChIKey is WTWVMFDLAPCABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O/c1-2-20-19(21-11-6-10-18-8-4-3-5-9-18)22-12-7-13-23-14-16-24-17-15-23/h3-5,8-9H,2,6-7,10-17H2,1H3,(H2,20,21,22).
What are the key properties of 1-ethyl-3-(3-morpholin-4-ylpropyl)-2-(3-phenylpropyl)guanidine?
1-ethyl-3-(3-morpholin-4-ylpropyl)-2-(3-phenylpropyl)guanidine has a molecular weight of 332.49 g/mol, XLogP of 1.90, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(3-morpholin-4-ylpropyl)-2-(3-phenylpropyl)guanidine is sourced from PubChem (CID 110972271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).