2-(1-morpholin-4-ylpropan-2-yl)-1-propan-2-ylguanidine

C11H24N4O — CID 62361377

IUPAC2-(1-morpholin-4-ylpropan-2-yl)-1-propan-2-ylguanidine
SMILESCC(CN1CCOCC1)/N=C(\N)NC(C)C
InChIInChI=1S/C11H24N4O/c1-9(2)13-11(12)14-10(3)8-15-4-6-16-7-5-15/h9-10H,4-8H2,1-3H3,(H3,12,13,14)
InChIKeyYIGOFBPEYAKUAZ-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.02
Rot. Bonds4

About 2-(1-morpholin-4-ylpropan-2-yl)-1-propan-2-ylguanidine

2-(1-morpholin-4-ylpropan-2-yl)-1-propan-2-ylguanidine (PubChem CID 62361377) has the molecular formula C11H24N4O and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-(1-morpholin-4-ylpropan-2-yl)-1-propan-2-ylguanidine.

Molecular Properties

Compound Name2-(1-morpholin-4-ylpropan-2-yl)-1-propan-2-ylguanidine
PubChem CID62361377
Molecular FormulaC11H24N4O
Molecular Weight228.34 g/mol
Exact Mass228.20
IUPAC Name2-(1-morpholin-4-ylpropan-2-yl)-1-propan-2-ylguanidine
SMILESCC(CN1CCOCC1)/N=C(\N)NC(C)C
InChIInChI=1S/C11H24N4O/c1-9(2)13-11(12)14-10(3)8-15-4-6-16-7-5-15/h9-10H,4-8H2,1-3H3,(H3,12,13,14)
InChIKeyYIGOFBPEYAKUAZ-UHFFFAOYSA-N
XLogP0.02
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.02
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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Related Compounds

4-(4,5-dihydro-1H-imidazol-2-yl)-2,6-dimethylmorpholine
CID 2798365
2-Methyl-1-(2-morpholin-4-ylethyl)-3-(3,3,3-trifluoropropyl)guanidine
CID 91659449
N-(2-methoxyethyl)-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109376216
N-(2-methoxyethyl)-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109376217
N'-(2-ethoxyethyl)-N-ethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109376310
N'-(2-ethoxyethyl)-N-ethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109376311
N'-(2-butoxyethyl)-N-ethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109376317
N-(3-ethoxypropyl)-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109376471
N-[2-(2-methoxyethoxy)ethyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109376631
N-ethyl-N'-(2-methoxyethyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109376956
N-ethyl-N'-(2-methoxyethyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109376957
N'-methyl-N-[2-(2-methylpropoxy)ethyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109377056

Frequently Asked Questions

What is the IUPAC name of 2-(1-morpholin-4-ylpropan-2-yl)-1-propan-2-ylguanidine?
The IUPAC name of 2-(1-morpholin-4-ylpropan-2-yl)-1-propan-2-ylguanidine (CID 62361377) is 2-(1-morpholin-4-ylpropan-2-yl)-1-propan-2-ylguanidine.
What is the SMILES notation for 2-(1-morpholin-4-ylpropan-2-yl)-1-propan-2-ylguanidine?
The canonical SMILES for 2-(1-morpholin-4-ylpropan-2-yl)-1-propan-2-ylguanidine is CC(CN1CCOCC1)/N=C(\N)NC(C)C.
What is the InChIKey of 2-(1-morpholin-4-ylpropan-2-yl)-1-propan-2-ylguanidine?
The InChIKey is YIGOFBPEYAKUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O/c1-9(2)13-11(12)14-10(3)8-15-4-6-16-7-5-15/h9-10H,4-8H2,1-3H3,(H3,12,13,14).
What are the key properties of 2-(1-morpholin-4-ylpropan-2-yl)-1-propan-2-ylguanidine?
2-(1-morpholin-4-ylpropan-2-yl)-1-propan-2-ylguanidine has a molecular weight of 228.34 g/mol, XLogP of 0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-morpholin-4-ylpropan-2-yl)-1-propan-2-ylguanidine is sourced from PubChem (CID 62361377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).