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

C19H37N3O3 — CID 118456425

IUPAC1,3-dicyclohexyl-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]guanidine
SMILESOCCOCCOCCN=C(NC1CCCCC1)NC1CCCCC1
InChIInChI=1S/C19H37N3O3/c23-12-14-25-16-15-24-13-11-20-19(21-17-7-3-1-4-8-17)22-18-9-5-2-6-10-18/h17-18,23H,1-16H2,(H2,20,21,22)
InChIKeyJAHXBVYWFLHKAH-UHFFFAOYSA-N
MW355.52 g/mol
LogP2.21
Rot. Bonds10

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

1,3-dicyclohexyl-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]guanidine (PubChem CID 118456425) has the molecular formula C19H37N3O3 and a molecular weight of 355.52 g/mol. Its IUPAC name is 1,3-dicyclohexyl-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]guanidine.

Molecular Properties

Compound Name1,3-dicyclohexyl-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]guanidine
PubChem CID118456425
Molecular FormulaC19H37N3O3
Molecular Weight355.52 g/mol
Exact Mass355.28
IUPAC Name1,3-dicyclohexyl-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]guanidine
SMILESOCCOCCOCCN=C(NC1CCCCC1)NC1CCCCC1
InChIInChI=1S/C19H37N3O3/c23-12-14-25-16-15-24-13-11-20-19(21-17-7-3-1-4-8-17)22-18-9-5-2-6-10-18/h17-18,23H,1-16H2,(H2,20,21,22)
InChIKeyJAHXBVYWFLHKAH-UHFFFAOYSA-N
XLogP2.21
TPSA75.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.52
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(2-hydroxyethoxy)ethoxy]ethyl]guanidine?
The IUPAC name of 1,3-dicyclohexyl-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]guanidine (CID 118456425) is 1,3-dicyclohexyl-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]guanidine.
What is the SMILES notation for 1,3-dicyclohexyl-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]guanidine?
The canonical SMILES for 1,3-dicyclohexyl-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]guanidine is OCCOCCOCCN=C(NC1CCCCC1)NC1CCCCC1.
What is the InChIKey of 1,3-dicyclohexyl-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]guanidine?
The InChIKey is JAHXBVYWFLHKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3O3/c23-12-14-25-16-15-24-13-11-20-19(21-17-7-3-1-4-8-17)22-18-9-5-2-6-10-18/h17-18,23H,1-16H2,(H2,20,21,22).
What are the key properties of 1,3-dicyclohexyl-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]guanidine?
1,3-dicyclohexyl-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]guanidine has a molecular weight of 355.52 g/mol, XLogP of 2.21, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dicyclohexyl-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]guanidine is sourced from PubChem (CID 118456425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).