1-amino-2-(3-morpholin-4-ylpropyl)guanidine

C8H19N5O — CID 14750558

IUPAC1-amino-2-(3-morpholin-4-ylpropyl)guanidine
SMILESNN/C(N)=N/CCCN1CCOCC1
InChIInChI=1S/C8H19N5O/c9-8(12-10)11-2-1-3-13-4-6-14-7-5-13/h1-7,10H2,(H3,9,11,12)
InChIKeyNSWMBLYWPZEBSW-UHFFFAOYSA-N
MW201.27 g/mol
LogP-1.51
Rot. Bonds4

About 1-amino-2-(3-morpholin-4-ylpropyl)guanidine

1-amino-2-(3-morpholin-4-ylpropyl)guanidine (PubChem CID 14750558) has the molecular formula C8H19N5O and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-amino-2-(3-morpholin-4-ylpropyl)guanidine.

Molecular Properties

Compound Name1-amino-2-(3-morpholin-4-ylpropyl)guanidine
PubChem CID14750558
Molecular FormulaC8H19N5O
Molecular Weight201.27 g/mol
Exact Mass201.16
IUPAC Name1-amino-2-(3-morpholin-4-ylpropyl)guanidine
SMILESNN/C(N)=N/CCCN1CCOCC1
InChIInChI=1S/C8H19N5O/c9-8(12-10)11-2-1-3-13-4-6-14-7-5-13/h1-7,10H2,(H3,9,11,12)
InChIKeyNSWMBLYWPZEBSW-UHFFFAOYSA-N
XLogP-1.51
TPSA88.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(3-morpholin-4-ylpropyl)guanidine?
The IUPAC name of 1-amino-2-(3-morpholin-4-ylpropyl)guanidine (CID 14750558) is 1-amino-2-(3-morpholin-4-ylpropyl)guanidine.
What is the SMILES notation for 1-amino-2-(3-morpholin-4-ylpropyl)guanidine?
The canonical SMILES for 1-amino-2-(3-morpholin-4-ylpropyl)guanidine is NN/C(N)=N/CCCN1CCOCC1.
What is the InChIKey of 1-amino-2-(3-morpholin-4-ylpropyl)guanidine?
The InChIKey is NSWMBLYWPZEBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N5O/c9-8(12-10)11-2-1-3-13-4-6-14-7-5-13/h1-7,10H2,(H3,9,11,12).
What are the key properties of 1-amino-2-(3-morpholin-4-ylpropyl)guanidine?
1-amino-2-(3-morpholin-4-ylpropyl)guanidine has a molecular weight of 201.27 g/mol, XLogP of -1.51, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(3-morpholin-4-ylpropyl)guanidine is sourced from PubChem (CID 14750558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).