2-(2-methyl-2-morpholin-4-ylpropyl)-1-(2-methylpropyl)guanidine

C13H28N4O — CID 111028508

IUPAC2-(2-methyl-2-morpholin-4-ylpropyl)-1-(2-methylpropyl)guanidine
SMILESCC(C)CN/C(N)=N/CC(C)(C)N1CCOCC1
InChIInChI=1S/C13H28N4O/c1-11(2)9-15-12(14)16-10-13(3,4)17-5-7-18-8-6-17/h11H,5-10H2,1-4H3,(H3,14,15,16)
InChIKeyGSTHNCAZJDDCKO-UHFFFAOYSA-N
MW256.39 g/mol
LogP0.66
Rot. Bonds5

About 2-(2-methyl-2-morpholin-4-ylpropyl)-1-(2-methylpropyl)guanidine

2-(2-methyl-2-morpholin-4-ylpropyl)-1-(2-methylpropyl)guanidine (PubChem CID 111028508) has the molecular formula C13H28N4O and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-(2-methyl-2-morpholin-4-ylpropyl)-1-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name2-(2-methyl-2-morpholin-4-ylpropyl)-1-(2-methylpropyl)guanidine
PubChem CID111028508
Molecular FormulaC13H28N4O
Molecular Weight256.39 g/mol
Exact Mass256.23
IUPAC Name2-(2-methyl-2-morpholin-4-ylpropyl)-1-(2-methylpropyl)guanidine
SMILESCC(C)CN/C(N)=N/CC(C)(C)N1CCOCC1
InChIInChI=1S/C13H28N4O/c1-11(2)9-15-12(14)16-10-13(3,4)17-5-7-18-8-6-17/h11H,5-10H2,1-4H3,(H3,14,15,16)
InChIKeyGSTHNCAZJDDCKO-UHFFFAOYSA-N
XLogP0.66
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 ≤ 50.66
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

2-(2-methyl-2-piperidin-1-ylpropyl)-1-(2-methylpropyl)guanidine
CID 111028794
1-(2-methoxyethyl)-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 51131421
1-(cyclobutylmethyl)-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 111028558
2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-1-(2-methylpropyl)guanidine
CID 111080175
2-methyl-1-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 110913680
2-(2-methyl-2-methylsulfanylpropyl)-1-(2-methylpropyl)guanidine
CID 111814810
3-[[amino-(2-methylpropylamino)methylidene]amino]-2,2-dimethylpropanamide
CID 103646370
1-(3,4-dimethoxyphenyl)-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 111028540
1-(3-morpholin-4-ylpropyl)-2-(2,2,4-trimethylpentyl)guanidine;hydroiodide
CID 111911375
1-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)-3-(2-methylpropyl)guanidine
CID 111179212
4-(2,4-dimethylpentan-2-yl)morpholine
CID 67965122
5-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)hexan-2-amine
CID 43202156

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-2-morpholin-4-ylpropyl)-1-(2-methylpropyl)guanidine?
The IUPAC name of 2-(2-methyl-2-morpholin-4-ylpropyl)-1-(2-methylpropyl)guanidine (CID 111028508) is 2-(2-methyl-2-morpholin-4-ylpropyl)-1-(2-methylpropyl)guanidine.
What is the SMILES notation for 2-(2-methyl-2-morpholin-4-ylpropyl)-1-(2-methylpropyl)guanidine?
The canonical SMILES for 2-(2-methyl-2-morpholin-4-ylpropyl)-1-(2-methylpropyl)guanidine is CC(C)CN/C(N)=N/CC(C)(C)N1CCOCC1.
What is the InChIKey of 2-(2-methyl-2-morpholin-4-ylpropyl)-1-(2-methylpropyl)guanidine?
The InChIKey is GSTHNCAZJDDCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O/c1-11(2)9-15-12(14)16-10-13(3,4)17-5-7-18-8-6-17/h11H,5-10H2,1-4H3,(H3,14,15,16).
What are the key properties of 2-(2-methyl-2-morpholin-4-ylpropyl)-1-(2-methylpropyl)guanidine?
2-(2-methyl-2-morpholin-4-ylpropyl)-1-(2-methylpropyl)guanidine has a molecular weight of 256.39 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-2-morpholin-4-ylpropyl)-1-(2-methylpropyl)guanidine is sourced from PubChem (CID 111028508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).