2-[2-(diethylamino)-3-phenylpropyl]-1-(3-morpholin-4-ylpropyl)guanidine

C21H37N5O — CID 111055279

IUPAC2-[2-(diethylamino)-3-phenylpropyl]-1-(3-morpholin-4-ylpropyl)guanidine
SMILESCCN(CC)C(C/N=C(\N)NCCCN1CCOCC1)Cc1ccccc1
InChIInChI=1S/C21H37N5O/c1-3-26(4-2)20(17-19-9-6-5-7-10-19)18-24-21(22)23-11-8-12-25-13-15-27-16-14-25/h5-7,9-10,20H,3-4,8,11-18H2,1-2H3,(H3,22,23,24)
InChIKeySCWYJOQIQYMNNG-UHFFFAOYSA-N
MW375.56 g/mol
LogP1.57
Rot. Bonds11

About 2-[2-(diethylamino)-3-phenylpropyl]-1-(3-morpholin-4-ylpropyl)guanidine

2-[2-(diethylamino)-3-phenylpropyl]-1-(3-morpholin-4-ylpropyl)guanidine (PubChem CID 111055279) has the molecular formula C21H37N5O and a molecular weight of 375.56 g/mol. Its IUPAC name is 2-[2-(diethylamino)-3-phenylpropyl]-1-(3-morpholin-4-ylpropyl)guanidine.

Molecular Properties

Compound Name2-[2-(diethylamino)-3-phenylpropyl]-1-(3-morpholin-4-ylpropyl)guanidine
PubChem CID111055279
Molecular FormulaC21H37N5O
Molecular Weight375.56 g/mol
Exact Mass375.30
IUPAC Name2-[2-(diethylamino)-3-phenylpropyl]-1-(3-morpholin-4-ylpropyl)guanidine
SMILESCCN(CC)C(C/N=C(\N)NCCCN1CCOCC1)Cc1ccccc1
InChIInChI=1S/C21H37N5O/c1-3-26(4-2)20(17-19-9-6-5-7-10-19)18-24-21(22)23-11-8-12-25-13-15-27-16-14-25/h5-7,9-10,20H,3-4,8,11-18H2,1-2H3,(H3,22,23,24)
InChIKeySCWYJOQIQYMNNG-UHFFFAOYSA-N
XLogP1.57
TPSA66.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.56
LogP ≤ 51.57
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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Related Compounds

2-[2-(diethylamino)-2-phenylethyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111029708
2-[2-(N-methylanilino)propyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111056428
2-[2-(diethylamino)-3-phenylpropyl]-1-(2-methoxyethyl)guanidine
CID 110924642
2-(3-hydroxy-2-phenylpropyl)-1-(3-morpholin-4-ylpropyl)guanidine
CID 111799936
1-(3-morpholin-4-ylpropyl)-2-[2-(4-phenylpiperazin-1-yl)propyl]guanidine
CID 111061757
2-[2-(2,3-dihydroindol-1-yl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111067792
1-[2-[benzyl(methyl)amino]ethyl]-2-(3-morpholin-4-ylpropyl)guanidine
CID 111078725
2-(3-benzylsulfonylpropyl)-1-(3-morpholin-4-ylpropyl)guanidine
CID 111065206
1-(3-morpholin-4-ylpropyl)-2-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)guanidine
CID 111029856
2-[2-(3-methylphenyl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111660241
2-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111085971
1-(3-morpholin-4-ylpropyl)-2-[3-(2-phenylethoxy)propyl]guanidine;hydroiodide
CID 111074310

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)-3-phenylpropyl]-1-(3-morpholin-4-ylpropyl)guanidine?
The IUPAC name of 2-[2-(diethylamino)-3-phenylpropyl]-1-(3-morpholin-4-ylpropyl)guanidine (CID 111055279) is 2-[2-(diethylamino)-3-phenylpropyl]-1-(3-morpholin-4-ylpropyl)guanidine.
What is the SMILES notation for 2-[2-(diethylamino)-3-phenylpropyl]-1-(3-morpholin-4-ylpropyl)guanidine?
The canonical SMILES for 2-[2-(diethylamino)-3-phenylpropyl]-1-(3-morpholin-4-ylpropyl)guanidine is CCN(CC)C(C/N=C(\N)NCCCN1CCOCC1)Cc1ccccc1.
What is the InChIKey of 2-[2-(diethylamino)-3-phenylpropyl]-1-(3-morpholin-4-ylpropyl)guanidine?
The InChIKey is SCWYJOQIQYMNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N5O/c1-3-26(4-2)20(17-19-9-6-5-7-10-19)18-24-21(22)23-11-8-12-25-13-15-27-16-14-25/h5-7,9-10,20H,3-4,8,11-18H2,1-2H3,(H3,22,23,24).
What are the key properties of 2-[2-(diethylamino)-3-phenylpropyl]-1-(3-morpholin-4-ylpropyl)guanidine?
2-[2-(diethylamino)-3-phenylpropyl]-1-(3-morpholin-4-ylpropyl)guanidine has a molecular weight of 375.56 g/mol, XLogP of 1.57, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)-3-phenylpropyl]-1-(3-morpholin-4-ylpropyl)guanidine is sourced from PubChem (CID 111055279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).