1-cyclohexyl-2-(3-piperidin-1-ylpropyl)guanidine

C15H30N4 — CID 58788466

IUPAC1-cyclohexyl-2-(3-piperidin-1-ylpropyl)guanidine
SMILESN/C(=N\CCCN1CCCCC1)NC1CCCCC1
InChIInChI=1S/C15H30N4/c16-15(18-14-8-3-1-4-9-14)17-10-7-13-19-11-5-2-6-12-19/h14H,1-13H2,(H3,16,17,18)
InChIKeyKEIQLTBTVUGLBK-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.10
Rot. Bonds5

About 1-cyclohexyl-2-(3-piperidin-1-ylpropyl)guanidine

1-cyclohexyl-2-(3-piperidin-1-ylpropyl)guanidine (PubChem CID 58788466) has the molecular formula C15H30N4 and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-cyclohexyl-2-(3-piperidin-1-ylpropyl)guanidine.

Molecular Properties

Compound Name1-cyclohexyl-2-(3-piperidin-1-ylpropyl)guanidine
PubChem CID58788466
Molecular FormulaC15H30N4
Molecular Weight266.43 g/mol
Exact Mass266.25
IUPAC Name1-cyclohexyl-2-(3-piperidin-1-ylpropyl)guanidine
SMILESN/C(=N\CCCN1CCCCC1)NC1CCCCC1
InChIInChI=1S/C15H30N4/c16-15(18-14-8-3-1-4-9-14)17-10-7-13-19-11-5-2-6-12-19/h14H,1-13H2,(H3,16,17,18)
InChIKeyKEIQLTBTVUGLBK-UHFFFAOYSA-N
XLogP2.10
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(3-piperidin-1-ylpropyl)guanidine?
The IUPAC name of 1-cyclohexyl-2-(3-piperidin-1-ylpropyl)guanidine (CID 58788466) is 1-cyclohexyl-2-(3-piperidin-1-ylpropyl)guanidine.
What is the SMILES notation for 1-cyclohexyl-2-(3-piperidin-1-ylpropyl)guanidine?
The canonical SMILES for 1-cyclohexyl-2-(3-piperidin-1-ylpropyl)guanidine is N/C(=N\CCCN1CCCCC1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(3-piperidin-1-ylpropyl)guanidine?
The InChIKey is KEIQLTBTVUGLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4/c16-15(18-14-8-3-1-4-9-14)17-10-7-13-19-11-5-2-6-12-19/h14H,1-13H2,(H3,16,17,18).
What are the key properties of 1-cyclohexyl-2-(3-piperidin-1-ylpropyl)guanidine?
1-cyclohexyl-2-(3-piperidin-1-ylpropyl)guanidine has a molecular weight of 266.43 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(3-piperidin-1-ylpropyl)guanidine is sourced from PubChem (CID 58788466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).