2-benzyl-1,1-dimethyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine

C18H30N4O — CID 111028586

IUPAC2-benzyl-1,1-dimethyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine
SMILESCN(C)/C(=N\Cc1ccccc1)NCC(C)(C)N1CCOCC1
InChIInChI=1S/C18H30N4O/c1-18(2,22-10-12-23-13-11-22)15-20-17(21(3)4)19-14-16-8-6-5-7-9-16/h5-9H,10-15H2,1-4H3,(H,19,20)
InChIKeyAKTITACXMAHRIR-UHFFFAOYSA-N
MW318.46 g/mol
LogP1.80
Rot. Bonds5

About 2-benzyl-1,1-dimethyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine

2-benzyl-1,1-dimethyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine (PubChem CID 111028586) has the molecular formula C18H30N4O and a molecular weight of 318.46 g/mol. Its IUPAC name is 2-benzyl-1,1-dimethyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine.

Molecular Properties

Compound Name2-benzyl-1,1-dimethyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine
PubChem CID111028586
Molecular FormulaC18H30N4O
Molecular Weight318.46 g/mol
Exact Mass318.24
IUPAC Name2-benzyl-1,1-dimethyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine
SMILESCN(C)/C(=N\Cc1ccccc1)NCC(C)(C)N1CCOCC1
InChIInChI=1S/C18H30N4O/c1-18(2,22-10-12-23-13-11-22)15-20-17(21(3)4)19-14-16-8-6-5-7-9-16/h5-9H,10-15H2,1-4H3,(H,19,20)
InChIKeyAKTITACXMAHRIR-UHFFFAOYSA-N
XLogP1.80
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 51.80
H-Bond Donors ≤ 51
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-1,1-dimethyl-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111023573
2-benzyl-1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 111313302
1-(2,2-dimethyl-3-phenylpropyl)-2-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 111619338
2-(benzylcarbamoylamino)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 30905093
1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 111314203
1-[2-(dimethylamino)-3-phenylpropyl]-2-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111313369
2-benzyl-1,1-dimethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
CID 111040318
N-benzyl-2-[[ethylamino-[(2-methyl-2-morpholin-4-ylpropyl)amino]methylidene]amino]acetamide
CID 111314876
1-benzyl-3-(2-methyl-2-morpholin-4-ylpropyl)-1-propylurea
CID 86999609
2-benzyl-1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111515237
3-hydroxy-N-(2-methyl-2-morpholin-4-ylpropyl)-3-phenylbutanamide
CID 110024325
1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)-2-[[2-(phenylmethoxymethyl)phenyl]methyl]guanidine
CID 111315710

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1,1-dimethyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine?
The IUPAC name of 2-benzyl-1,1-dimethyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine (CID 111028586) is 2-benzyl-1,1-dimethyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine.
What is the SMILES notation for 2-benzyl-1,1-dimethyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine?
The canonical SMILES for 2-benzyl-1,1-dimethyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine is CN(C)/C(=N\Cc1ccccc1)NCC(C)(C)N1CCOCC1.
What is the InChIKey of 2-benzyl-1,1-dimethyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine?
The InChIKey is AKTITACXMAHRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-18(2,22-10-12-23-13-11-22)15-20-17(21(3)4)19-14-16-8-6-5-7-9-16/h5-9H,10-15H2,1-4H3,(H,19,20).
What are the key properties of 2-benzyl-1,1-dimethyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine?
2-benzyl-1,1-dimethyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine has a molecular weight of 318.46 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1,1-dimethyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine is sourced from PubChem (CID 111028586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).