1-ethyl-2-[(4-morpholin-4-ylphenyl)methyl]-3-pentylguanidine

C19H32N4O — CID 111128383

IUPAC1-ethyl-2-[(4-morpholin-4-ylphenyl)methyl]-3-pentylguanidine
SMILESCCCCCN/C(=N/Cc1ccc(N2CCOCC2)cc1)NCC
InChIInChI=1S/C19H32N4O/c1-3-5-6-11-21-19(20-4-2)22-16-17-7-9-18(10-8-17)23-12-14-24-15-13-23/h7-10H,3-6,11-16H2,1-2H3,(H2,20,21,22)
InChIKeyBPXBLJOATPRZLX-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.77
Rot. Bonds8

About 1-ethyl-2-[(4-morpholin-4-ylphenyl)methyl]-3-pentylguanidine

1-ethyl-2-[(4-morpholin-4-ylphenyl)methyl]-3-pentylguanidine (PubChem CID 111128383) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is 1-ethyl-2-[(4-morpholin-4-ylphenyl)methyl]-3-pentylguanidine.

Molecular Properties

Compound Name1-ethyl-2-[(4-morpholin-4-ylphenyl)methyl]-3-pentylguanidine
PubChem CID111128383
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC Name1-ethyl-2-[(4-morpholin-4-ylphenyl)methyl]-3-pentylguanidine
SMILESCCCCCN/C(=N/Cc1ccc(N2CCOCC2)cc1)NCC
InChIInChI=1S/C19H32N4O/c1-3-5-6-11-21-19(20-4-2)22-16-17-7-9-18(10-8-17)23-12-14-24-15-13-23/h7-10H,3-6,11-16H2,1-2H3,(H2,20,21,22)
InChIKeyBPXBLJOATPRZLX-UHFFFAOYSA-N
XLogP2.77
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'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-hexyl-2-[[4-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 111161915
1-ethyl-2-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-pentylguanidine;hydroiodide
CID 111130155
1-ethyl-3-(2-methoxyethyl)-2-[(4-morpholin-4-ylphenyl)methyl]guanidine
CID 110940548
1-ethyl-3-[3-(2-methylpropoxy)propyl]-2-[(4-morpholin-4-ylphenyl)methyl]guanidine
CID 111400523
1-ethyl-2-[(4-morpholin-4-ylphenyl)methyl]-3-(2-phenylethyl)guanidine;hydroiodide
CID 111134132
1-ethyl-3-[3-(2-methylpropoxy)propyl]-2-[(4-morpholin-4-ylphenyl)methyl]guanidine;hydroiodide
CID 111400522
1-ethyl-2-[(4-morpholin-4-ylphenyl)methyl]-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111415088
1-ethyl-3-[2-(4-methoxyphenyl)ethyl]-2-[(4-morpholin-4-ylphenyl)methyl]guanidine
CID 111169237
1-[2-(cyclohexen-1-yl)ethyl]-3-ethyl-2-[(4-morpholin-4-ylphenyl)methyl]guanidine;hydroiodide
CID 111208928
1-ethyl-2-[(4-fluorophenyl)methyl]-3-(4-morpholin-4-ylbutyl)guanidine
CID 111232483
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-2-[(4-morpholin-4-ylphenyl)methyl]guanidine;hydroiodide
CID 111214130
1-ethyl-3-hexyl-2-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]guanidine;hydroiodide
CID 111160708

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(4-morpholin-4-ylphenyl)methyl]-3-pentylguanidine?
The IUPAC name of 1-ethyl-2-[(4-morpholin-4-ylphenyl)methyl]-3-pentylguanidine (CID 111128383) is 1-ethyl-2-[(4-morpholin-4-ylphenyl)methyl]-3-pentylguanidine.
What is the SMILES notation for 1-ethyl-2-[(4-morpholin-4-ylphenyl)methyl]-3-pentylguanidine?
The canonical SMILES for 1-ethyl-2-[(4-morpholin-4-ylphenyl)methyl]-3-pentylguanidine is CCCCCN/C(=N/Cc1ccc(N2CCOCC2)cc1)NCC.
What is the InChIKey of 1-ethyl-2-[(4-morpholin-4-ylphenyl)methyl]-3-pentylguanidine?
The InChIKey is BPXBLJOATPRZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O/c1-3-5-6-11-21-19(20-4-2)22-16-17-7-9-18(10-8-17)23-12-14-24-15-13-23/h7-10H,3-6,11-16H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-ethyl-2-[(4-morpholin-4-ylphenyl)methyl]-3-pentylguanidine?
1-ethyl-2-[(4-morpholin-4-ylphenyl)methyl]-3-pentylguanidine has a molecular weight of 332.49 g/mol, XLogP of 2.77, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(4-morpholin-4-ylphenyl)methyl]-3-pentylguanidine is sourced from PubChem (CID 111128383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).