1,3-dicyclohexyl-2-(2-piperazin-1-ylethyl)guanidine

C19H37N5 — CID 122691199

IUPAC1,3-dicyclohexyl-2-(2-piperazin-1-ylethyl)guanidine
SMILESC1CCC(NC(=NCCN2CCNCC2)NC2CCCCC2)CC1
InChIInChI=1S/C19H37N5/c1-3-7-17(8-4-1)22-19(23-18-9-5-2-6-10-18)21-13-16-24-14-11-20-12-15-24/h17-18,20H,1-16H2,(H2,21,22,23)
InChIKeyISUKONRPAQMFGB-UHFFFAOYSA-N
MW335.54 g/mol
LogP2.09
Rot. Bonds5

About 1,3-dicyclohexyl-2-(2-piperazin-1-ylethyl)guanidine

1,3-dicyclohexyl-2-(2-piperazin-1-ylethyl)guanidine (PubChem CID 122691199) has the molecular formula C19H37N5 and a molecular weight of 335.54 g/mol. Its IUPAC name is 1,3-dicyclohexyl-2-(2-piperazin-1-ylethyl)guanidine.

Molecular Properties

Compound Name1,3-dicyclohexyl-2-(2-piperazin-1-ylethyl)guanidine
PubChem CID122691199
Molecular FormulaC19H37N5
Molecular Weight335.54 g/mol
Exact Mass335.30
IUPAC Name1,3-dicyclohexyl-2-(2-piperazin-1-ylethyl)guanidine
SMILESC1CCC(NC(=NCCN2CCNCC2)NC2CCCCC2)CC1
InChIInChI=1S/C19H37N5/c1-3-7-17(8-4-1)22-19(23-18-9-5-2-6-10-18)21-13-16-24-14-11-20-12-15-24/h17-18,20H,1-16H2,(H2,21,22,23)
InChIKeyISUKONRPAQMFGB-UHFFFAOYSA-N
XLogP2.09
TPSA51.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.54
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 1,3-dicyclohexyl-2-(2-piperazin-1-ylethyl)guanidine?
The IUPAC name of 1,3-dicyclohexyl-2-(2-piperazin-1-ylethyl)guanidine (CID 122691199) is 1,3-dicyclohexyl-2-(2-piperazin-1-ylethyl)guanidine.
What is the SMILES notation for 1,3-dicyclohexyl-2-(2-piperazin-1-ylethyl)guanidine?
The canonical SMILES for 1,3-dicyclohexyl-2-(2-piperazin-1-ylethyl)guanidine is C1CCC(NC(=NCCN2CCNCC2)NC2CCCCC2)CC1.
What is the InChIKey of 1,3-dicyclohexyl-2-(2-piperazin-1-ylethyl)guanidine?
The InChIKey is ISUKONRPAQMFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N5/c1-3-7-17(8-4-1)22-19(23-18-9-5-2-6-10-18)21-13-16-24-14-11-20-12-15-24/h17-18,20H,1-16H2,(H2,21,22,23).
What are the key properties of 1,3-dicyclohexyl-2-(2-piperazin-1-ylethyl)guanidine?
1,3-dicyclohexyl-2-(2-piperazin-1-ylethyl)guanidine has a molecular weight of 335.54 g/mol, XLogP of 2.09, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dicyclohexyl-2-(2-piperazin-1-ylethyl)guanidine is sourced from PubChem (CID 122691199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).