2-benzyl-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine

C16H26N4O — CID 110953548

IUPAC2-benzyl-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine
SMILESCCN/C(=N\Cc1ccccc1)NCCN1CCOCC1
InChIInChI=1S/C16H26N4O/c1-2-17-16(19-14-15-6-4-3-5-7-15)18-8-9-20-10-12-21-13-11-20/h3-7H,2,8-14H2,1H3,(H2,17,18,19)
InChIKeyQMHNTPVHZKFZBM-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.07
Rot. Bonds6

About 2-benzyl-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine

2-benzyl-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine (PubChem CID 110953548) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-benzyl-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine.

Molecular Properties

Compound Name2-benzyl-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine
PubChem CID110953548
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name2-benzyl-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine
SMILESCCN/C(=N\Cc1ccccc1)NCCN1CCOCC1
InChIInChI=1S/C16H26N4O/c1-2-17-16(19-14-15-6-4-3-5-7-15)18-8-9-20-10-12-21-13-11-20/h3-7H,2,8-14H2,1H3,(H2,17,18,19)
InChIKeyQMHNTPVHZKFZBM-UHFFFAOYSA-N
XLogP1.07
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-benzyl-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 110953547
2-benzyl-1-ethyl-3-(4-morpholin-4-ylbutyl)guanidine
CID 110952780
1-ethyl-3-(2-morpholin-4-ylethyl)-2-[[3-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 111188097
2-(2,2-dimethyl-3-phenylpropyl)-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine
CID 111619318
2-[[N'-benzyl-N-(2-morpholin-4-ylethyl)carbamimidoyl]amino]-N,N-dimethylacetamide
CID 111187521
2-[(3-cyanophenyl)methyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111188302
methyl 4-[[[ethylamino-(2-morpholin-4-ylethylamino)methylidene]amino]methyl]benzoate;hydroiodide
CID 111162388
1-[2-(4-acetylpiperazin-1-yl)ethyl]-2-benzyl-3-ethylguanidine;hydroiodide
CID 110952597
1-ethyl-3-(2-morpholin-4-ylethyl)-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide
CID 111188250
1-ethyl-3-(2-morpholin-4-ylethyl)-2-[[3-(propan-2-yloxymethyl)phenyl]methyl]guanidine
CID 111187917
1-ethyl-2-[(4-morpholin-4-ylphenyl)methyl]-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111415088
2-benzyl-1-[2-(furan-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)guanidine
CID 111187993

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine?
The IUPAC name of 2-benzyl-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine (CID 110953548) is 2-benzyl-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine.
What is the SMILES notation for 2-benzyl-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine?
The canonical SMILES for 2-benzyl-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine is CCN/C(=N\Cc1ccccc1)NCCN1CCOCC1.
What is the InChIKey of 2-benzyl-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine?
The InChIKey is QMHNTPVHZKFZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-2-17-16(19-14-15-6-4-3-5-7-15)18-8-9-20-10-12-21-13-11-20/h3-7H,2,8-14H2,1H3,(H2,17,18,19).
What are the key properties of 2-benzyl-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine?
2-benzyl-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine has a molecular weight of 290.41 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine is sourced from PubChem (CID 110953548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).