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

C16H27IN4O — CID 110953547

IUPAC2-benzyl-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
SMILESCCN/C(=N\Cc1ccccc1)NCCN1CCOCC1.I
InChIInChI=1S/C16H26N4O.HI/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);1H
InChIKeyMZWWDBPXTAEKLP-UHFFFAOYSA-N
MW418.32 g/mol
LogP1.69
Rot. Bonds6

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

2-benzyl-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide (PubChem CID 110953547) has the molecular formula C16H27IN4O and a molecular weight of 418.32 g/mol. Its IUPAC name is 2-benzyl-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-benzyl-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
PubChem CID110953547
Molecular FormulaC16H27IN4O
Molecular Weight418.32 g/mol
Exact Mass418.12
IUPAC Name2-benzyl-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
SMILESCCN/C(=N\Cc1ccccc1)NCCN1CCOCC1.I
InChIInChI=1S/C16H26N4O.HI/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);1H
InChIKeyMZWWDBPXTAEKLP-UHFFFAOYSA-N
XLogP1.69
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.32
LogP ≤ 51.69
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-benzyl-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine
CID 110953548
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-[(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-2-[(4-morpholin-4-ylphenyl)methyl]-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111415088
2-(2,2-dimethyl-3-phenylpropyl)-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine
CID 111619318
N,N-diethyl-4-[[[ethylamino-(2-morpholin-4-ylethylamino)methylidene]amino]methyl]benzamide;hydroiodide
CID 111187330
1-ethyl-2-(furan-2-ylmethyl)-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 110938057
2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111187262

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide?
The IUPAC name of 2-benzyl-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide (CID 110953547) is 2-benzyl-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide.
What is the SMILES notation for 2-benzyl-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide?
The canonical SMILES for 2-benzyl-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide is CCN/C(=N\Cc1ccccc1)NCCN1CCOCC1.I.
What is the InChIKey of 2-benzyl-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide?
The InChIKey is MZWWDBPXTAEKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O.HI/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);1H.
What are the key properties of 2-benzyl-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide?
2-benzyl-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide has a molecular weight of 418.32 g/mol, XLogP of 1.69, 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;hydroiodide is sourced from PubChem (CID 110953547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).