2-[(2-cyclohexylpiperidin-1-yl)methyl]guanidine

C13H26N4 — CID 70498607

IUPAC2-[(2-cyclohexylpiperidin-1-yl)methyl]guanidine
SMILESNC(N)=NCN1CCCCC1C1CCCCC1
InChIInChI=1S/C13H26N4/c14-13(15)16-10-17-9-5-4-8-12(17)11-6-2-1-3-7-11/h11-12H,1-10H2,(H4,14,15,16)
InChIKeyXSRKFVYBQURNKB-UHFFFAOYSA-N
MW238.38 g/mol
LogP1.65
Rot. Bonds3

About 2-[(2-cyclohexylpiperidin-1-yl)methyl]guanidine

2-[(2-cyclohexylpiperidin-1-yl)methyl]guanidine (PubChem CID 70498607) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is 2-[(2-cyclohexylpiperidin-1-yl)methyl]guanidine.

Molecular Properties

Compound Name2-[(2-cyclohexylpiperidin-1-yl)methyl]guanidine
PubChem CID70498607
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC Name2-[(2-cyclohexylpiperidin-1-yl)methyl]guanidine
SMILESNC(N)=NCN1CCCCC1C1CCCCC1
InChIInChI=1S/C13H26N4/c14-13(15)16-10-17-9-5-4-8-12(17)11-6-2-1-3-7-11/h11-12H,1-10H2,(H4,14,15,16)
InChIKeyXSRKFVYBQURNKB-UHFFFAOYSA-N
XLogP1.65
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 51.65
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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Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclohexylpiperidin-1-yl)methyl]guanidine?
The IUPAC name of 2-[(2-cyclohexylpiperidin-1-yl)methyl]guanidine (CID 70498607) is 2-[(2-cyclohexylpiperidin-1-yl)methyl]guanidine.
What is the SMILES notation for 2-[(2-cyclohexylpiperidin-1-yl)methyl]guanidine?
The canonical SMILES for 2-[(2-cyclohexylpiperidin-1-yl)methyl]guanidine is NC(N)=NCN1CCCCC1C1CCCCC1.
What is the InChIKey of 2-[(2-cyclohexylpiperidin-1-yl)methyl]guanidine?
The InChIKey is XSRKFVYBQURNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c14-13(15)16-10-17-9-5-4-8-12(17)11-6-2-1-3-7-11/h11-12H,1-10H2,(H4,14,15,16).
What are the key properties of 2-[(2-cyclohexylpiperidin-1-yl)methyl]guanidine?
2-[(2-cyclohexylpiperidin-1-yl)methyl]guanidine has a molecular weight of 238.38 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclohexylpiperidin-1-yl)methyl]guanidine is sourced from PubChem (CID 70498607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).