1-amino-2-(2-morpholin-4-ylpropyl)guanidine

C8H19N5O — CID 23126903

IUPAC1-amino-2-(2-morpholin-4-ylpropyl)guanidine
SMILESCC(C/N=C(\N)NN)N1CCOCC1
InChIInChI=1S/C8H19N5O/c1-7(6-11-8(9)12-10)13-2-4-14-5-3-13/h7H,2-6,10H2,1H3,(H3,9,11,12)
InChIKeyQJEAJJUFNJQEKF-UHFFFAOYSA-N
MW201.27 g/mol
LogP-1.51
Rot. Bonds3

About 1-amino-2-(2-morpholin-4-ylpropyl)guanidine

1-amino-2-(2-morpholin-4-ylpropyl)guanidine (PubChem CID 23126903) has the molecular formula C8H19N5O and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-amino-2-(2-morpholin-4-ylpropyl)guanidine.

Molecular Properties

Compound Name1-amino-2-(2-morpholin-4-ylpropyl)guanidine
PubChem CID23126903
Molecular FormulaC8H19N5O
Molecular Weight201.27 g/mol
Exact Mass201.16
IUPAC Name1-amino-2-(2-morpholin-4-ylpropyl)guanidine
SMILESCC(C/N=C(\N)NN)N1CCOCC1
InChIInChI=1S/C8H19N5O/c1-7(6-11-8(9)12-10)13-2-4-14-5-3-13/h7H,2-6,10H2,1H3,(H3,9,11,12)
InChIKeyQJEAJJUFNJQEKF-UHFFFAOYSA-N
XLogP-1.51
TPSA88.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-1.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 111055251
N'-(2-morpholin-4-ylpropyl)morpholine-4-carboximidamide
CID 111055185
1-cyclohexyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 111055183
1,3-diethyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 110915060
1-cyclopropyl-1-methyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 110030013
4-methyl-N'-(2-morpholin-4-ylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 110919840
N'-[2-(4-methylpiperazin-1-yl)propyl]morpholine-4-carboximidamide
CID 111090365
2-[2-(4-ethylpiperazin-1-yl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111056058
1-tert-butyl-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 110964681
1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine
CID 111041553
N'-[2-(4-methylpiperidin-1-yl)propyl]morpholine-4-carboximidamide;hydroiodide
CID 111086012
1-ethyl-3-(3-methylbutan-2-yl)-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111000702

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(2-morpholin-4-ylpropyl)guanidine?
The IUPAC name of 1-amino-2-(2-morpholin-4-ylpropyl)guanidine (CID 23126903) is 1-amino-2-(2-morpholin-4-ylpropyl)guanidine.
What is the SMILES notation for 1-amino-2-(2-morpholin-4-ylpropyl)guanidine?
The canonical SMILES for 1-amino-2-(2-morpholin-4-ylpropyl)guanidine is CC(C/N=C(\N)NN)N1CCOCC1.
What is the InChIKey of 1-amino-2-(2-morpholin-4-ylpropyl)guanidine?
The InChIKey is QJEAJJUFNJQEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N5O/c1-7(6-11-8(9)12-10)13-2-4-14-5-3-13/h7H,2-6,10H2,1H3,(H3,9,11,12).
What are the key properties of 1-amino-2-(2-morpholin-4-ylpropyl)guanidine?
1-amino-2-(2-morpholin-4-ylpropyl)guanidine has a molecular weight of 201.27 g/mol, XLogP of -1.51, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(2-morpholin-4-ylpropyl)guanidine is sourced from PubChem (CID 23126903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).