1-benzyl-3-ethyl-1-methyl-2-(4-morpholin-4-ylbutyl)guanidine

C19H32N4O — CID 110950702

IUPAC1-benzyl-3-ethyl-1-methyl-2-(4-morpholin-4-ylbutyl)guanidine
SMILESCCN/C(=N\CCCCN1CCOCC1)N(C)Cc1ccccc1
InChIInChI=1S/C19H32N4O/c1-3-20-19(22(2)17-18-9-5-4-6-10-18)21-11-7-8-12-23-13-15-24-16-14-23/h4-6,9-10H,3,7-8,11-17H2,1-2H3,(H,20,21)
InChIKeyRCALUZJYCGORSN-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.20
Rot. Bonds8

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

1-benzyl-3-ethyl-1-methyl-2-(4-morpholin-4-ylbutyl)guanidine (PubChem CID 110950702) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is 1-benzyl-3-ethyl-1-methyl-2-(4-morpholin-4-ylbutyl)guanidine.

Molecular Properties

Compound Name1-benzyl-3-ethyl-1-methyl-2-(4-morpholin-4-ylbutyl)guanidine
PubChem CID110950702
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC Name1-benzyl-3-ethyl-1-methyl-2-(4-morpholin-4-ylbutyl)guanidine
SMILESCCN/C(=N\CCCCN1CCOCC1)N(C)Cc1ccccc1
InChIInChI=1S/C19H32N4O/c1-3-20-19(22(2)17-18-9-5-4-6-10-18)21-11-7-8-12-23-13-15-24-16-14-23/h4-6,9-10H,3,7-8,11-17H2,1-2H3,(H,20,21)
InChIKeyRCALUZJYCGORSN-UHFFFAOYSA-N
XLogP2.20
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.20
H-Bond Donors ≤ 51
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'}

Analyze 1-benzyl-3-ethyl-1-methyl-2-(4-morpholin-4-ylbutyl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyl-1-methyl-1-[(2-methylphenyl)methyl]-2-(4-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 111287180
1-[[4-(difluoromethoxy)phenyl]methyl]-3-ethyl-1-methyl-2-(4-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 111288320
1-[[4-(difluoromethoxy)phenyl]methyl]-3-ethyl-1-methyl-2-(3-morpholin-4-ylpropyl)guanidine
CID 111288057
1-[(4-chlorophenyl)methyl]-3-ethyl-1-methyl-2-(2-morpholin-4-ylethyl)guanidine
CID 111294167
3-ethyl-1-methyl-1-[(4-methylphenyl)methyl]-2-(4-pyrrolidin-1-ylbutyl)guanidine;hydroiodide
CID 111289734
3-ethyl-1-methyl-2-(2-morpholin-4-ylethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]guanidine
CID 111300149
3-ethyl-1-[(4-methoxyphenyl)methyl]-1-methyl-2-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111272718
3-ethyl-1-[(3-fluorophenyl)methyl]-1-methyl-2-(4-pyrrolidin-1-ylbutyl)guanidine;hydroiodide
CID 111286184
3-ethyl-1-methyl-2-[4-(4-methylpiperazin-1-yl)butyl]-1-[(4-methylsulfanylphenyl)methyl]guanidine;hydroiodide
CID 111299066
3-ethyl-1-[(4-methoxyphenyl)methyl]-1-methyl-2-(4-pyrrolidin-1-ylbutyl)guanidine;hydroiodide
CID 111272656
methyl 5-[[[benzyl(methyl)amino]-(ethylamino)methylidene]amino]pentanoate
CID 110950776
N,N-diethyl-2-[[N-ethyl-N'-(4-morpholin-4-ylbutyl)carbamimidoyl]-methylamino]acetamide;hydroiodide
CID 111009506

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-ethyl-1-methyl-2-(4-morpholin-4-ylbutyl)guanidine?
The IUPAC name of 1-benzyl-3-ethyl-1-methyl-2-(4-morpholin-4-ylbutyl)guanidine (CID 110950702) is 1-benzyl-3-ethyl-1-methyl-2-(4-morpholin-4-ylbutyl)guanidine.
What is the SMILES notation for 1-benzyl-3-ethyl-1-methyl-2-(4-morpholin-4-ylbutyl)guanidine?
The canonical SMILES for 1-benzyl-3-ethyl-1-methyl-2-(4-morpholin-4-ylbutyl)guanidine is CCN/C(=N\CCCCN1CCOCC1)N(C)Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-ethyl-1-methyl-2-(4-morpholin-4-ylbutyl)guanidine?
The InChIKey is RCALUZJYCGORSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O/c1-3-20-19(22(2)17-18-9-5-4-6-10-18)21-11-7-8-12-23-13-15-24-16-14-23/h4-6,9-10H,3,7-8,11-17H2,1-2H3,(H,20,21).
What are the key properties of 1-benzyl-3-ethyl-1-methyl-2-(4-morpholin-4-ylbutyl)guanidine?
1-benzyl-3-ethyl-1-methyl-2-(4-morpholin-4-ylbutyl)guanidine has a molecular weight of 332.49 g/mol, XLogP of 2.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-ethyl-1-methyl-2-(4-morpholin-4-ylbutyl)guanidine is sourced from PubChem (CID 110950702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).