2-(2-morpholin-4-ylethyl)-1-propan-2-ylguanidine

C10H22N4O — CID 62361958

IUPAC2-(2-morpholin-4-ylethyl)-1-propan-2-ylguanidine
SMILESCC(C)N/C(N)=N/CCN1CCOCC1
InChIInChI=1S/C10H22N4O/c1-9(2)13-10(11)12-3-4-14-5-7-15-8-6-14/h9H,3-8H2,1-2H3,(H3,11,12,13)
InChIKeyJIHRXHYFBFKBMP-UHFFFAOYSA-N
MW214.31 g/mol
LogP-0.37
Rot. Bonds4

About 2-(2-morpholin-4-ylethyl)-1-propan-2-ylguanidine

2-(2-morpholin-4-ylethyl)-1-propan-2-ylguanidine (PubChem CID 62361958) has the molecular formula C10H22N4O and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-(2-morpholin-4-ylethyl)-1-propan-2-ylguanidine.

Molecular Properties

Compound Name2-(2-morpholin-4-ylethyl)-1-propan-2-ylguanidine
PubChem CID62361958
Molecular FormulaC10H22N4O
Molecular Weight214.31 g/mol
Exact Mass214.18
IUPAC Name2-(2-morpholin-4-ylethyl)-1-propan-2-ylguanidine
SMILESCC(C)N/C(N)=N/CCN1CCOCC1
InChIInChI=1S/C10H22N4O/c1-9(2)13-10(11)12-3-4-14-5-7-15-8-6-14/h9H,3-8H2,1-2H3,(H3,11,12,13)
InChIKeyJIHRXHYFBFKBMP-UHFFFAOYSA-N
XLogP-0.37
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 5-0.37
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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Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-ylethyl)-1-propan-2-ylguanidine?
The IUPAC name of 2-(2-morpholin-4-ylethyl)-1-propan-2-ylguanidine (CID 62361958) is 2-(2-morpholin-4-ylethyl)-1-propan-2-ylguanidine.
What is the SMILES notation for 2-(2-morpholin-4-ylethyl)-1-propan-2-ylguanidine?
The canonical SMILES for 2-(2-morpholin-4-ylethyl)-1-propan-2-ylguanidine is CC(C)N/C(N)=N/CCN1CCOCC1.
What is the InChIKey of 2-(2-morpholin-4-ylethyl)-1-propan-2-ylguanidine?
The InChIKey is JIHRXHYFBFKBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O/c1-9(2)13-10(11)12-3-4-14-5-7-15-8-6-14/h9H,3-8H2,1-2H3,(H3,11,12,13).
What are the key properties of 2-(2-morpholin-4-ylethyl)-1-propan-2-ylguanidine?
2-(2-morpholin-4-ylethyl)-1-propan-2-ylguanidine has a molecular weight of 214.31 g/mol, XLogP of -0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-ylethyl)-1-propan-2-ylguanidine is sourced from PubChem (CID 62361958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).