1-[2-(1-methylpiperidin-4-yl)ethyl]-2-(2-methylpropyl)guanidine

C13H28N4 — CID 111085397

IUPAC1-[2-(1-methylpiperidin-4-yl)ethyl]-2-(2-methylpropyl)guanidine
SMILESCC(C)C/N=C(\N)NCCC1CCN(C)CC1
InChIInChI=1S/C13H28N4/c1-11(2)10-16-13(14)15-7-4-12-5-8-17(3)9-6-12/h11-12H,4-10H2,1-3H3,(H3,14,15,16)
InChIKeyLQJHFDOUTPGXIT-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.28
Rot. Bonds5

About 1-[2-(1-methylpiperidin-4-yl)ethyl]-2-(2-methylpropyl)guanidine

1-[2-(1-methylpiperidin-4-yl)ethyl]-2-(2-methylpropyl)guanidine (PubChem CID 111085397) has the molecular formula C13H28N4 and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-[2-(1-methylpiperidin-4-yl)ethyl]-2-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name1-[2-(1-methylpiperidin-4-yl)ethyl]-2-(2-methylpropyl)guanidine
PubChem CID111085397
Molecular FormulaC13H28N4
Molecular Weight240.39 g/mol
Exact Mass240.23
IUPAC Name1-[2-(1-methylpiperidin-4-yl)ethyl]-2-(2-methylpropyl)guanidine
SMILESCC(C)C/N=C(\N)NCCC1CCN(C)CC1
InChIInChI=1S/C13H28N4/c1-11(2)10-16-13(14)15-7-4-12-5-8-17(3)9-6-12/h11-12H,4-10H2,1-3H3,(H3,14,15,16)
InChIKeyLQJHFDOUTPGXIT-UHFFFAOYSA-N
XLogP1.28
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.28
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

1-(2-cyclopentylethyl)-2-(2-methylpropyl)guanidine
CID 62363523
1-[(1-methylpiperidin-3-yl)methyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 110912317
2-(2-methylpropyl)-1-[(1-propylpiperidin-4-yl)methyl]guanidine
CID 111077501
2-[(1-ethylpyrrolidin-2-yl)methyl]-1-[2-(1-methylpiperidin-4-yl)ethyl]guanidine;hydroiodide
CID 111085448
1-[3-(4-methylpiperidin-1-yl)propyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111034836
(2S)-2-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
CID 103814143
2-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide;dihydrochloride
CID 119865894
2-(2-methylpropyl)-1-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine;hydroiodide
CID 110912183
2-(2-methylpropyl)-1-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]guanidine
CID 111810830
1-(2-methoxyethyl)-2-[(1-methylpiperidin-4-yl)methyl]guanidine
CID 110927538
4-(aminomethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclohexane-1-carboxamide
CID 104963837
1-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-2-(2-methylpropyl)guanidine
CID 111070318

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylpiperidin-4-yl)ethyl]-2-(2-methylpropyl)guanidine?
The IUPAC name of 1-[2-(1-methylpiperidin-4-yl)ethyl]-2-(2-methylpropyl)guanidine (CID 111085397) is 1-[2-(1-methylpiperidin-4-yl)ethyl]-2-(2-methylpropyl)guanidine.
What is the SMILES notation for 1-[2-(1-methylpiperidin-4-yl)ethyl]-2-(2-methylpropyl)guanidine?
The canonical SMILES for 1-[2-(1-methylpiperidin-4-yl)ethyl]-2-(2-methylpropyl)guanidine is CC(C)C/N=C(\N)NCCC1CCN(C)CC1.
What is the InChIKey of 1-[2-(1-methylpiperidin-4-yl)ethyl]-2-(2-methylpropyl)guanidine?
The InChIKey is LQJHFDOUTPGXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4/c1-11(2)10-16-13(14)15-7-4-12-5-8-17(3)9-6-12/h11-12H,4-10H2,1-3H3,(H3,14,15,16).
What are the key properties of 1-[2-(1-methylpiperidin-4-yl)ethyl]-2-(2-methylpropyl)guanidine?
1-[2-(1-methylpiperidin-4-yl)ethyl]-2-(2-methylpropyl)guanidine has a molecular weight of 240.39 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylpiperidin-4-yl)ethyl]-2-(2-methylpropyl)guanidine is sourced from PubChem (CID 111085397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).