1,3-dicyclohexyl-2-[2-(2-hydroxyethoxy)ethyl]guanidine

C17H33N3O2 — CID 58030637

IUPAC1,3-dicyclohexyl-2-[2-(2-hydroxyethoxy)ethyl]guanidine
SMILESOCCOCCN=C(NC1CCCCC1)NC1CCCCC1
InChIInChI=1S/C17H33N3O2/c21-12-14-22-13-11-18-17(19-15-7-3-1-4-8-15)20-16-9-5-2-6-10-16/h15-16,21H,1-14H2,(H2,18,19,20)
InChIKeyWNPIYMZMPKGSDV-UHFFFAOYSA-N
MW311.47 g/mol
LogP2.20
Rot. Bonds7

About 1,3-dicyclohexyl-2-[2-(2-hydroxyethoxy)ethyl]guanidine

1,3-dicyclohexyl-2-[2-(2-hydroxyethoxy)ethyl]guanidine (PubChem CID 58030637) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is 1,3-dicyclohexyl-2-[2-(2-hydroxyethoxy)ethyl]guanidine.

Molecular Properties

Compound Name1,3-dicyclohexyl-2-[2-(2-hydroxyethoxy)ethyl]guanidine
PubChem CID58030637
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC Name1,3-dicyclohexyl-2-[2-(2-hydroxyethoxy)ethyl]guanidine
SMILESOCCOCCN=C(NC1CCCCC1)NC1CCCCC1
InChIInChI=1S/C17H33N3O2/c21-12-14-22-13-11-18-17(19-15-7-3-1-4-8-15)20-16-9-5-2-6-10-16/h15-16,21H,1-14H2,(H2,18,19,20)
InChIKeyWNPIYMZMPKGSDV-UHFFFAOYSA-N
XLogP2.20
TPSA65.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 1,3-dicyclohexyl-2-[2-(2-hydroxyethoxy)ethyl]guanidine?
The IUPAC name of 1,3-dicyclohexyl-2-[2-(2-hydroxyethoxy)ethyl]guanidine (CID 58030637) is 1,3-dicyclohexyl-2-[2-(2-hydroxyethoxy)ethyl]guanidine.
What is the SMILES notation for 1,3-dicyclohexyl-2-[2-(2-hydroxyethoxy)ethyl]guanidine?
The canonical SMILES for 1,3-dicyclohexyl-2-[2-(2-hydroxyethoxy)ethyl]guanidine is OCCOCCN=C(NC1CCCCC1)NC1CCCCC1.
What is the InChIKey of 1,3-dicyclohexyl-2-[2-(2-hydroxyethoxy)ethyl]guanidine?
The InChIKey is WNPIYMZMPKGSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O2/c21-12-14-22-13-11-18-17(19-15-7-3-1-4-8-15)20-16-9-5-2-6-10-16/h15-16,21H,1-14H2,(H2,18,19,20).
What are the key properties of 1,3-dicyclohexyl-2-[2-(2-hydroxyethoxy)ethyl]guanidine?
1,3-dicyclohexyl-2-[2-(2-hydroxyethoxy)ethyl]guanidine has a molecular weight of 311.47 g/mol, XLogP of 2.20, 7 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-(2-hydroxyethoxy)ethyl]guanidine is sourced from PubChem (CID 58030637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).