2-methyl-1-[(2S)-3-methyl-2-morpholin-4-ylbutyl]guanidine

C11H24N4O — CID 52532885

IUPAC2-methyl-1-[(2S)-3-methyl-2-morpholin-4-ylbutyl]guanidine
SMILESC/N=C(\N)NC[C@H](C(C)C)N1CCOCC1
InChIInChI=1S/C11H24N4O/c1-9(2)10(8-14-11(12)13-3)15-4-6-16-7-5-15/h9-10H,4-8H2,1-3H3,(H3,12,13,14)/t10-/m1/s1
InChIKeySBTXAWBETYHFOV-SNVBAGLBSA-N
MW228.34 g/mol
LogP-0.12
Rot. Bonds4

About 2-methyl-1-[(2S)-3-methyl-2-morpholin-4-ylbutyl]guanidine

2-methyl-1-[(2S)-3-methyl-2-morpholin-4-ylbutyl]guanidine (PubChem CID 52532885) has the molecular formula C11H24N4O and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-methyl-1-[(2S)-3-methyl-2-morpholin-4-ylbutyl]guanidine.

Molecular Properties

Compound Name2-methyl-1-[(2S)-3-methyl-2-morpholin-4-ylbutyl]guanidine
PubChem CID52532885
Molecular FormulaC11H24N4O
Molecular Weight228.34 g/mol
Exact Mass228.20
IUPAC Name2-methyl-1-[(2S)-3-methyl-2-morpholin-4-ylbutyl]guanidine
SMILESC/N=C(\N)NC[C@H](C(C)C)N1CCOCC1
InChIInChI=1S/C11H24N4O/c1-9(2)10(8-14-11(12)13-3)15-4-6-16-7-5-15/h9-10H,4-8H2,1-3H3,(H3,12,13,14)/t10-/m1/s1
InChIKeySBTXAWBETYHFOV-SNVBAGLBSA-N
XLogP-0.12
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 ≤ 5-0.12
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

N-ethyl-N'-(3-methyl-2-morpholin-4-ylbutyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109376329
N'-methyl-N-[2-(3-methylbutoxy)ethyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109376595
N'-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109376605
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
2-Methyl-1-[2-(3-methylmorpholin-4-yl)propyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 109474189
1-Ethyl-2-[2-(3-methylmorpholin-4-yl)propyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 109475097
1-Ethyl-2-(2-morpholin-4-ylpropyl)-3-(3,3,3-trifluoropropyl)guanidine
CID 111778315
1-Ethyl-2-(3-methyl-2-morpholin-4-ylbutyl)-3-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide
CID 111930484
1-Ethyl-2-(3-methyl-2-morpholin-4-ylbutyl)-3-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
CID 111930485
1-Ethyl-2-(3-methyl-2-morpholin-4-ylbutyl)-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]guanidine;hydroiodide
CID 111931013
1-Ethyl-2-(3-methyl-2-morpholin-4-ylbutyl)-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]guanidine
CID 111931014

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(2S)-3-methyl-2-morpholin-4-ylbutyl]guanidine?
The IUPAC name of 2-methyl-1-[(2S)-3-methyl-2-morpholin-4-ylbutyl]guanidine (CID 52532885) is 2-methyl-1-[(2S)-3-methyl-2-morpholin-4-ylbutyl]guanidine.
What is the SMILES notation for 2-methyl-1-[(2S)-3-methyl-2-morpholin-4-ylbutyl]guanidine?
The canonical SMILES for 2-methyl-1-[(2S)-3-methyl-2-morpholin-4-ylbutyl]guanidine is C/N=C(\N)NC[C@H](C(C)C)N1CCOCC1.
What is the InChIKey of 2-methyl-1-[(2S)-3-methyl-2-morpholin-4-ylbutyl]guanidine?
The InChIKey is SBTXAWBETYHFOV-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H24N4O/c1-9(2)10(8-14-11(12)13-3)15-4-6-16-7-5-15/h9-10H,4-8H2,1-3H3,(H3,12,13,14)/t10-/m1/s1.
What are the key properties of 2-methyl-1-[(2S)-3-methyl-2-morpholin-4-ylbutyl]guanidine?
2-methyl-1-[(2S)-3-methyl-2-morpholin-4-ylbutyl]guanidine has a molecular weight of 228.34 g/mol, XLogP of -0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(2S)-3-methyl-2-morpholin-4-ylbutyl]guanidine is sourced from PubChem (CID 52532885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).