2-(2-methyl-2-piperidin-1-ylpropyl)-1-(2-methylpropyl)guanidine

C14H30N4 — CID 111028794

IUPAC2-(2-methyl-2-piperidin-1-ylpropyl)-1-(2-methylpropyl)guanidine
SMILESCC(C)CN/C(N)=N/CC(C)(C)N1CCCCC1
InChIInChI=1S/C14H30N4/c1-12(2)10-16-13(15)17-11-14(3,4)18-8-6-5-7-9-18/h12H,5-11H2,1-4H3,(H3,15,16,17)
InChIKeyWYUFWWYPSVTSBE-UHFFFAOYSA-N
MW254.42 g/mol
LogP1.81
Rot. Bonds5

About 2-(2-methyl-2-piperidin-1-ylpropyl)-1-(2-methylpropyl)guanidine

2-(2-methyl-2-piperidin-1-ylpropyl)-1-(2-methylpropyl)guanidine (PubChem CID 111028794) has the molecular formula C14H30N4 and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-(2-methyl-2-piperidin-1-ylpropyl)-1-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name2-(2-methyl-2-piperidin-1-ylpropyl)-1-(2-methylpropyl)guanidine
PubChem CID111028794
Molecular FormulaC14H30N4
Molecular Weight254.42 g/mol
Exact Mass254.25
IUPAC Name2-(2-methyl-2-piperidin-1-ylpropyl)-1-(2-methylpropyl)guanidine
SMILESCC(C)CN/C(N)=N/CC(C)(C)N1CCCCC1
InChIInChI=1S/C14H30N4/c1-12(2)10-16-13(15)17-11-14(3,4)18-8-6-5-7-9-18/h12H,5-11H2,1-4H3,(H3,15,16,17)
InChIKeyWYUFWWYPSVTSBE-UHFFFAOYSA-N
XLogP1.81
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-morpholin-4-ylpropyl)-1-(2-methylpropyl)guanidine
CID 111028508
2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-1-(2-methylpropyl)guanidine
CID 111080175
1-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)-3-(2-methylpropyl)guanidine
CID 111179212
1-[(2S)-butan-2-yl]-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine
CID 52525028
1-butan-2-yl-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine;hydroiodide
CID 51132121
1-tert-butyl-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine;hydroiodide
CID 111028795
2-(2-methyl-2-piperidin-1-ylpropyl)-1-(2-phenylethyl)guanidine;hydroiodide
CID 111028789
2-(2-methyl-2-methylsulfanylpropyl)-1-(2-methylpropyl)guanidine
CID 111814810
3-[[amino-(2-methylpropylamino)methylidene]amino]-2,2-dimethylpropanamide
CID 103646370
1-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)-3-propan-2-ylguanidine;hydroiodide
CID 111125239
1-(3,5-dimethylphenyl)-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine
CID 111028792
2-(2-methyl-2-piperidin-1-ylpropyl)-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
CID 111028845

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-2-piperidin-1-ylpropyl)-1-(2-methylpropyl)guanidine?
The IUPAC name of 2-(2-methyl-2-piperidin-1-ylpropyl)-1-(2-methylpropyl)guanidine (CID 111028794) is 2-(2-methyl-2-piperidin-1-ylpropyl)-1-(2-methylpropyl)guanidine.
What is the SMILES notation for 2-(2-methyl-2-piperidin-1-ylpropyl)-1-(2-methylpropyl)guanidine?
The canonical SMILES for 2-(2-methyl-2-piperidin-1-ylpropyl)-1-(2-methylpropyl)guanidine is CC(C)CN/C(N)=N/CC(C)(C)N1CCCCC1.
What is the InChIKey of 2-(2-methyl-2-piperidin-1-ylpropyl)-1-(2-methylpropyl)guanidine?
The InChIKey is WYUFWWYPSVTSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4/c1-12(2)10-16-13(15)17-11-14(3,4)18-8-6-5-7-9-18/h12H,5-11H2,1-4H3,(H3,15,16,17).
What are the key properties of 2-(2-methyl-2-piperidin-1-ylpropyl)-1-(2-methylpropyl)guanidine?
2-(2-methyl-2-piperidin-1-ylpropyl)-1-(2-methylpropyl)guanidine has a molecular weight of 254.42 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-2-piperidin-1-ylpropyl)-1-(2-methylpropyl)guanidine is sourced from PubChem (CID 111028794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).