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

C19H32N4O — CID 110954776

IUPAC2-benzyl-1-ethyl-3-(3-methyl-2-morpholin-4-ylbutyl)guanidine
SMILESCCN/C(=N\Cc1ccccc1)NCC(C(C)C)N1CCOCC1
InChIInChI=1S/C19H32N4O/c1-4-20-19(21-14-17-8-6-5-7-9-17)22-15-18(16(2)3)23-10-12-24-13-11-23/h5-9,16,18H,4,10-15H2,1-3H3,(H2,20,21,22)
InChIKeyOGQCAADYRMUFKZ-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.10
Rot. Bonds7

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

2-benzyl-1-ethyl-3-(3-methyl-2-morpholin-4-ylbutyl)guanidine (PubChem CID 110954776) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is 2-benzyl-1-ethyl-3-(3-methyl-2-morpholin-4-ylbutyl)guanidine.

Molecular Properties

Compound Name2-benzyl-1-ethyl-3-(3-methyl-2-morpholin-4-ylbutyl)guanidine
PubChem CID110954776
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC Name2-benzyl-1-ethyl-3-(3-methyl-2-morpholin-4-ylbutyl)guanidine
SMILESCCN/C(=N\Cc1ccccc1)NCC(C(C)C)N1CCOCC1
InChIInChI=1S/C19H32N4O/c1-4-20-19(21-14-17-8-6-5-7-9-17)22-15-18(16(2)3)23-10-12-24-13-11-23/h5-9,16,18H,4,10-15H2,1-3H3,(H2,20,21,22)
InChIKeyOGQCAADYRMUFKZ-UHFFFAOYSA-N
XLogP2.10
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.10
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

1-ethyl-2-[(4-fluorophenyl)methyl]-3-(3-methyl-2-morpholin-4-ylbutyl)guanidine
CID 111232645
N-ethyl-4-[[[ethylamino-[(3-methyl-2-morpholin-4-ylbutyl)amino]methylidene]amino]methyl]benzamide;hydroiodide
CID 111930174
2-[[3-[(dimethylamino)methyl]phenyl]methyl]-1-ethyl-3-(3-methyl-2-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 111931647
2-[(3-cyanophenyl)methyl]-1-ethyl-3-(3-methyl-2-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 111930955
1-ethyl-2-[(2-fluorophenyl)methyl]-3-(3-methyl-2-morpholin-4-ylbutyl)guanidine
CID 111266157
1-ethyl-3-(3-methyl-2-morpholin-4-ylbutyl)-2-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111931307
1-ethyl-2-[[4-(2-methoxyethoxy)phenyl]methyl]-3-(3-methyl-2-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 111931889
1-ethyl-2-(2-hydroxy-2-phenylpropyl)-3-(3-methyl-2-morpholin-4-ylbutyl)guanidine
CID 109416878
1-ethyl-3-(3-methyl-2-morpholin-4-ylbutyl)-2-[(2-phenylmethoxy-3-pyridinyl)methyl]guanidine
CID 111931620
2-[[2-(ethoxymethyl)phenyl]methyl]-1-ethyl-3-(3-methyl-2-morpholin-4-ylbutyl)guanidine
CID 111931874
1-[4-[[[ethylamino-[(3-methyl-2-morpholin-4-ylbutyl)amino]methylidene]amino]methyl]phenyl]-3-propan-2-ylurea
CID 111930493
1-ethyl-3-(3-methyl-2-morpholin-4-ylbutyl)-2-[(4-phenyloxan-4-yl)methyl]guanidine
CID 111931478

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-ethyl-3-(3-methyl-2-morpholin-4-ylbutyl)guanidine?
The IUPAC name of 2-benzyl-1-ethyl-3-(3-methyl-2-morpholin-4-ylbutyl)guanidine (CID 110954776) is 2-benzyl-1-ethyl-3-(3-methyl-2-morpholin-4-ylbutyl)guanidine.
What is the SMILES notation for 2-benzyl-1-ethyl-3-(3-methyl-2-morpholin-4-ylbutyl)guanidine?
The canonical SMILES for 2-benzyl-1-ethyl-3-(3-methyl-2-morpholin-4-ylbutyl)guanidine is CCN/C(=N\Cc1ccccc1)NCC(C(C)C)N1CCOCC1.
What is the InChIKey of 2-benzyl-1-ethyl-3-(3-methyl-2-morpholin-4-ylbutyl)guanidine?
The InChIKey is OGQCAADYRMUFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O/c1-4-20-19(21-14-17-8-6-5-7-9-17)22-15-18(16(2)3)23-10-12-24-13-11-23/h5-9,16,18H,4,10-15H2,1-3H3,(H2,20,21,22).
What are the key properties of 2-benzyl-1-ethyl-3-(3-methyl-2-morpholin-4-ylbutyl)guanidine?
2-benzyl-1-ethyl-3-(3-methyl-2-morpholin-4-ylbutyl)guanidine has a molecular weight of 332.49 g/mol, XLogP of 2.10, 7 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-(3-methyl-2-morpholin-4-ylbutyl)guanidine is sourced from PubChem (CID 110954776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).