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

C9H20N4 — CID 26492

IUPAC2-[2-(2-methylpiperidin-1-yl)ethyl]guanidine
SMILESCC1CCCCN1CCN=C(N)N
InChIInChI=1S/C9H20N4/c1-8-4-2-3-6-13(8)7-5-12-9(10)11/h8H,2-7H2,1H3,(H4,10,11,12)
InChIKeyHQUWUDMYZBLEHR-UHFFFAOYSA-N
MW184.29 g/mol
LogP0.13
Rot. Bonds3

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

2-[2-(2-methylpiperidin-1-yl)ethyl]guanidine (PubChem CID 26492) has the molecular formula C9H20N4 and a molecular weight of 184.29 g/mol. Its IUPAC name is 2-[2-(2-methylpiperidin-1-yl)ethyl]guanidine.

Molecular Properties

Compound Name2-[2-(2-methylpiperidin-1-yl)ethyl]guanidine
PubChem CID26492
Molecular FormulaC9H20N4
Molecular Weight184.29 g/mol
Exact Mass184.17
IUPAC Name2-[2-(2-methylpiperidin-1-yl)ethyl]guanidine
SMILESCC1CCCCN1CCN=C(N)N
InChIInChI=1S/C9H20N4/c1-8-4-2-3-6-13(8)7-5-12-9(10)11/h8H,2-7H2,1H3,(H4,10,11,12)
InChIKeyHQUWUDMYZBLEHR-UHFFFAOYSA-N
XLogP0.13
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.29
LogP ≤ 50.13
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

Guanidine, (2-(N-methylcycloheptylamino)ethyl)-
CID 49608
Piperidinium, 1-(2-guanidinoethyl)-1-methyl-, iodide, hydriodide
CID 24842901
Bis(aminoethyl-alpha-disulfone)
CID 3082751
Guanidine 1,5-diazabicyclo(5.4.0)undecane
CID 3082750
2-(2-Piperidin-1-ylethyl)guanidine
CID 58492
BD-38
CID 191110
2-[2-(2,2,6,6-Tetramethylpiperidin-1-yl)ethyl]guanidine
CID 13467
1-(2-(N-Methylcyclohexylamino)ethyl)guanidine
CID 26506
2-[2-[Cyclohexyl(propyl)amino]ethyl]guanidine
CID 26514
2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]guanidine
CID 51714
2-[4-(1-Methylpiperidin-1-ium-1-yl)butyl]guanidine
CID 24842900
2-[2-(1-Methylpiperidin-1-ium-1-yl)ethyl]guanidine
CID 24842902

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylpiperidin-1-yl)ethyl]guanidine?
The IUPAC name of 2-[2-(2-methylpiperidin-1-yl)ethyl]guanidine (CID 26492) is 2-[2-(2-methylpiperidin-1-yl)ethyl]guanidine.
What is the SMILES notation for 2-[2-(2-methylpiperidin-1-yl)ethyl]guanidine?
The canonical SMILES for 2-[2-(2-methylpiperidin-1-yl)ethyl]guanidine is CC1CCCCN1CCN=C(N)N.
What is the InChIKey of 2-[2-(2-methylpiperidin-1-yl)ethyl]guanidine?
The InChIKey is HQUWUDMYZBLEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4/c1-8-4-2-3-6-13(8)7-5-12-9(10)11/h8H,2-7H2,1H3,(H4,10,11,12).
What are the key properties of 2-[2-(2-methylpiperidin-1-yl)ethyl]guanidine?
2-[2-(2-methylpiperidin-1-yl)ethyl]guanidine has a molecular weight of 184.29 g/mol, XLogP of 0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylpiperidin-1-yl)ethyl]guanidine is sourced from PubChem (CID 26492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).