1-cyclohexyl-2-[(1-methylpiperidin-3-yl)methyl]guanidine

C14H28N4 — CID 62369731

IUPAC1-cyclohexyl-2-[(1-methylpiperidin-3-yl)methyl]guanidine
SMILESCN1CCCC(C/N=C(\N)NC2CCCCC2)C1
InChIInChI=1S/C14H28N4/c1-18-9-5-6-12(11-18)10-16-14(15)17-13-7-3-2-4-8-13/h12-13H,2-11H2,1H3,(H3,15,16,17)
InChIKeyAJJFOOKYTXGFIJ-UHFFFAOYSA-N
MW252.41 g/mol
LogP1.57
Rot. Bonds3

About 1-cyclohexyl-2-[(1-methylpiperidin-3-yl)methyl]guanidine

1-cyclohexyl-2-[(1-methylpiperidin-3-yl)methyl]guanidine (PubChem CID 62369731) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is 1-cyclohexyl-2-[(1-methylpiperidin-3-yl)methyl]guanidine.

Molecular Properties

Compound Name1-cyclohexyl-2-[(1-methylpiperidin-3-yl)methyl]guanidine
PubChem CID62369731
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC Name1-cyclohexyl-2-[(1-methylpiperidin-3-yl)methyl]guanidine
SMILESCN1CCCC(C/N=C(\N)NC2CCCCC2)C1
InChIInChI=1S/C14H28N4/c1-18-9-5-6-12(11-18)10-16-14(15)17-13-7-3-2-4-8-13/h12-13H,2-11H2,1H3,(H3,15,16,17)
InChIKeyAJJFOOKYTXGFIJ-UHFFFAOYSA-N
XLogP1.57
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 51.57
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 1-cyclohexyl-2-[(1-methylpiperidin-3-yl)methyl]guanidine?
The IUPAC name of 1-cyclohexyl-2-[(1-methylpiperidin-3-yl)methyl]guanidine (CID 62369731) is 1-cyclohexyl-2-[(1-methylpiperidin-3-yl)methyl]guanidine.
What is the SMILES notation for 1-cyclohexyl-2-[(1-methylpiperidin-3-yl)methyl]guanidine?
The canonical SMILES for 1-cyclohexyl-2-[(1-methylpiperidin-3-yl)methyl]guanidine is CN1CCCC(C/N=C(\N)NC2CCCCC2)C1.
What is the InChIKey of 1-cyclohexyl-2-[(1-methylpiperidin-3-yl)methyl]guanidine?
The InChIKey is AJJFOOKYTXGFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-18-9-5-6-12(11-18)10-16-14(15)17-13-7-3-2-4-8-13/h12-13H,2-11H2,1H3,(H3,15,16,17).
What are the key properties of 1-cyclohexyl-2-[(1-methylpiperidin-3-yl)methyl]guanidine?
1-cyclohexyl-2-[(1-methylpiperidin-3-yl)methyl]guanidine has a molecular weight of 252.41 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[(1-methylpiperidin-3-yl)methyl]guanidine is sourced from PubChem (CID 62369731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).