1-[(2R)-butan-2-yl]-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine

C13H28N4O — CID 52516520

IUPAC1-[(2R)-butan-2-yl]-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine
SMILESCC[C@@H](C)N/C(N)=N/CC(C)(C)N1CCOCC1
InChIInChI=1S/C13H28N4O/c1-5-11(2)16-12(14)15-10-13(3,4)17-6-8-18-9-7-17/h11H,5-10H2,1-4H3,(H3,14,15,16)/t11-/m1/s1
InChIKeyAAHWDKCSTNJXKK-LLVKDONJSA-N
MW256.39 g/mol
LogP0.80
Rot. Bonds5

About 1-[(2R)-butan-2-yl]-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine

1-[(2R)-butan-2-yl]-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine (PubChem CID 52516520) has the molecular formula C13H28N4O and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-[(2R)-butan-2-yl]-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine.

Molecular Properties

Compound Name1-[(2R)-butan-2-yl]-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine
PubChem CID52516520
Molecular FormulaC13H28N4O
Molecular Weight256.39 g/mol
Exact Mass256.23
IUPAC Name1-[(2R)-butan-2-yl]-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine
SMILESCC[C@@H](C)N/C(N)=N/CC(C)(C)N1CCOCC1
InChIInChI=1S/C13H28N4O/c1-5-11(2)16-12(14)15-10-13(3,4)17-6-8-18-9-7-17/h11H,5-10H2,1-4H3,(H3,14,15,16)/t11-/m1/s1
InChIKeyAAHWDKCSTNJXKK-LLVKDONJSA-N
XLogP0.80
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 50.80
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
CID 109376217
N'-(2-ethoxyethyl)-N-ethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109376311
N'-methyl-N-[2-(2-methylpropoxy)ethyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109377056
N'-methyl-N-[2-(2-methylpropoxy)ethyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109377057
N-(2-ethoxyethyl)-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109377516
N-(2-ethoxyethyl)-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109377517
N-[2-[2-methoxyethyl(methyl)amino]ethyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109377601
N-(2-butoxyethyl)-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109378596
2-[2-(2,6-Dimethylmorpholin-4-yl)-2-methylpropyl]-1-ethyl-3-(3,3,3-trifluoropropyl)guanidine
CID 109473607
2-Methyl-1-[2-(3-methylmorpholin-4-yl)propyl]-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109474188

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-butan-2-yl]-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine?
The IUPAC name of 1-[(2R)-butan-2-yl]-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine (CID 52516520) is 1-[(2R)-butan-2-yl]-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine.
What is the SMILES notation for 1-[(2R)-butan-2-yl]-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine?
The canonical SMILES for 1-[(2R)-butan-2-yl]-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine is CC[C@@H](C)N/C(N)=N/CC(C)(C)N1CCOCC1.
What is the InChIKey of 1-[(2R)-butan-2-yl]-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine?
The InChIKey is AAHWDKCSTNJXKK-LLVKDONJSA-N. The full InChI is InChI=1S/C13H28N4O/c1-5-11(2)16-12(14)15-10-13(3,4)17-6-8-18-9-7-17/h11H,5-10H2,1-4H3,(H3,14,15,16)/t11-/m1/s1.
What are the key properties of 1-[(2R)-butan-2-yl]-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine?
1-[(2R)-butan-2-yl]-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine has a molecular weight of 256.39 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-butan-2-yl]-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine is sourced from PubChem (CID 52516520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).