1,1-bis(2-morpholin-4-ylethyl)guanidine

C13H27N5O2 — CID 139808583

IUPAC1,1-bis(2-morpholin-4-ylethyl)guanidine
SMILES[H]/N=C(\N)N(CCN1CCOCC1)CCN1CCOCC1
InChIInChI=1S/C13H27N5O2/c14-13(15)18(3-1-16-5-9-19-10-6-16)4-2-17-7-11-20-12-8-17/h1-12H2,(H3,14,15)
InChIKeyAICJMHGLOFKXOR-UHFFFAOYSA-N
MW285.39 g/mol
LogP-1.15
Rot. Bonds6

About 1,1-bis(2-morpholin-4-ylethyl)guanidine

1,1-bis(2-morpholin-4-ylethyl)guanidine (PubChem CID 139808583) has the molecular formula C13H27N5O2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1,1-bis(2-morpholin-4-ylethyl)guanidine.

Molecular Properties

Compound Name1,1-bis(2-morpholin-4-ylethyl)guanidine
PubChem CID139808583
Molecular FormulaC13H27N5O2
Molecular Weight285.39 g/mol
Exact Mass285.22
IUPAC Name1,1-bis(2-morpholin-4-ylethyl)guanidine
SMILES[H]/N=C(\N)N(CCN1CCOCC1)CCN1CCOCC1
InChIInChI=1S/C13H27N5O2/c14-13(15)18(3-1-16-5-9-19-10-6-16)4-2-17-7-11-20-12-8-17/h1-12H2,(H3,14,15)
InChIKeyAICJMHGLOFKXOR-UHFFFAOYSA-N
XLogP-1.15
TPSA78.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 5-1.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(2-morpholin-4-ylethyl)guanidine?
The IUPAC name of 1,1-bis(2-morpholin-4-ylethyl)guanidine (CID 139808583) is 1,1-bis(2-morpholin-4-ylethyl)guanidine.
What is the SMILES notation for 1,1-bis(2-morpholin-4-ylethyl)guanidine?
The canonical SMILES for 1,1-bis(2-morpholin-4-ylethyl)guanidine is [H]/N=C(\N)N(CCN1CCOCC1)CCN1CCOCC1.
What is the InChIKey of 1,1-bis(2-morpholin-4-ylethyl)guanidine?
The InChIKey is AICJMHGLOFKXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N5O2/c14-13(15)18(3-1-16-5-9-19-10-6-16)4-2-17-7-11-20-12-8-17/h1-12H2,(H3,14,15).
What are the key properties of 1,1-bis(2-morpholin-4-ylethyl)guanidine?
1,1-bis(2-morpholin-4-ylethyl)guanidine has a molecular weight of 285.39 g/mol, XLogP of -1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(2-morpholin-4-ylethyl)guanidine is sourced from PubChem (CID 139808583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).