2-(2-methylpropyl)-1-(1-morpholin-4-ylpropan-2-yl)guanidine

C12H26N4O — CID 55063722

IUPAC2-(2-methylpropyl)-1-(1-morpholin-4-ylpropan-2-yl)guanidine
SMILESCC(C)C/N=C(\N)NC(C)CN1CCOCC1
InChIInChI=1S/C12H26N4O/c1-10(2)8-14-12(13)15-11(3)9-16-4-6-17-7-5-16/h10-11H,4-9H2,1-3H3,(H3,13,14,15)
InChIKeyNXNGVCANWRHXLE-UHFFFAOYSA-N
MW242.37 g/mol
LogP0.27
Rot. Bonds5

About 2-(2-methylpropyl)-1-(1-morpholin-4-ylpropan-2-yl)guanidine

2-(2-methylpropyl)-1-(1-morpholin-4-ylpropan-2-yl)guanidine (PubChem CID 55063722) has the molecular formula C12H26N4O and a molecular weight of 242.37 g/mol. Its IUPAC name is 2-(2-methylpropyl)-1-(1-morpholin-4-ylpropan-2-yl)guanidine.

Molecular Properties

Compound Name2-(2-methylpropyl)-1-(1-morpholin-4-ylpropan-2-yl)guanidine
PubChem CID55063722
Molecular FormulaC12H26N4O
Molecular Weight242.37 g/mol
Exact Mass242.21
IUPAC Name2-(2-methylpropyl)-1-(1-morpholin-4-ylpropan-2-yl)guanidine
SMILESCC(C)C/N=C(\N)NC(C)CN1CCOCC1
InChIInChI=1S/C12H26N4O/c1-10(2)8-14-12(13)15-11(3)9-16-4-6-17-7-5-16/h10-11H,4-9H2,1-3H3,(H3,13,14,15)
InChIKeyNXNGVCANWRHXLE-UHFFFAOYSA-N
XLogP0.27
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 50.27
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-methylpropyl)-1-(1-morpholin-4-ylpropan-2-yl)guanidine?
The IUPAC name of 2-(2-methylpropyl)-1-(1-morpholin-4-ylpropan-2-yl)guanidine (CID 55063722) is 2-(2-methylpropyl)-1-(1-morpholin-4-ylpropan-2-yl)guanidine.
What is the SMILES notation for 2-(2-methylpropyl)-1-(1-morpholin-4-ylpropan-2-yl)guanidine?
The canonical SMILES for 2-(2-methylpropyl)-1-(1-morpholin-4-ylpropan-2-yl)guanidine is CC(C)C/N=C(\N)NC(C)CN1CCOCC1.
What is the InChIKey of 2-(2-methylpropyl)-1-(1-morpholin-4-ylpropan-2-yl)guanidine?
The InChIKey is NXNGVCANWRHXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O/c1-10(2)8-14-12(13)15-11(3)9-16-4-6-17-7-5-16/h10-11H,4-9H2,1-3H3,(H3,13,14,15).
What are the key properties of 2-(2-methylpropyl)-1-(1-morpholin-4-ylpropan-2-yl)guanidine?
2-(2-methylpropyl)-1-(1-morpholin-4-ylpropan-2-yl)guanidine has a molecular weight of 242.37 g/mol, XLogP of 0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-1-(1-morpholin-4-ylpropan-2-yl)guanidine is sourced from PubChem (CID 55063722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).