1,3-dicyclohexyl-2-(4-methoxybutyl)guanidine

C18H35N3O — CID 58988604

IUPAC1,3-dicyclohexyl-2-(4-methoxybutyl)guanidine
SMILESCOCCCCN=C(NC1CCCCC1)NC1CCCCC1
InChIInChI=1S/C18H35N3O/c1-22-15-9-8-14-19-18(20-16-10-4-2-5-11-16)21-17-12-6-3-7-13-17/h16-17H,2-15H2,1H3,(H2,19,20,21)
InChIKeyUWQXBYUZRVNCBT-UHFFFAOYSA-N
MW309.50 g/mol
LogP3.61
Rot. Bonds7

About 1,3-dicyclohexyl-2-(4-methoxybutyl)guanidine

1,3-dicyclohexyl-2-(4-methoxybutyl)guanidine (PubChem CID 58988604) has the molecular formula C18H35N3O and a molecular weight of 309.50 g/mol. Its IUPAC name is 1,3-dicyclohexyl-2-(4-methoxybutyl)guanidine.

Molecular Properties

Compound Name1,3-dicyclohexyl-2-(4-methoxybutyl)guanidine
PubChem CID58988604
Molecular FormulaC18H35N3O
Molecular Weight309.50 g/mol
Exact Mass309.28
IUPAC Name1,3-dicyclohexyl-2-(4-methoxybutyl)guanidine
SMILESCOCCCCN=C(NC1CCCCC1)NC1CCCCC1
InChIInChI=1S/C18H35N3O/c1-22-15-9-8-14-19-18(20-16-10-4-2-5-11-16)21-17-12-6-3-7-13-17/h16-17H,2-15H2,1H3,(H2,19,20,21)
InChIKeyUWQXBYUZRVNCBT-UHFFFAOYSA-N
XLogP3.61
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.50
LogP ≤ 53.61
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 1,3-dicyclohexyl-2-(4-methoxybutyl)guanidine?
The IUPAC name of 1,3-dicyclohexyl-2-(4-methoxybutyl)guanidine (CID 58988604) is 1,3-dicyclohexyl-2-(4-methoxybutyl)guanidine.
What is the SMILES notation for 1,3-dicyclohexyl-2-(4-methoxybutyl)guanidine?
The canonical SMILES for 1,3-dicyclohexyl-2-(4-methoxybutyl)guanidine is COCCCCN=C(NC1CCCCC1)NC1CCCCC1.
What is the InChIKey of 1,3-dicyclohexyl-2-(4-methoxybutyl)guanidine?
The InChIKey is UWQXBYUZRVNCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O/c1-22-15-9-8-14-19-18(20-16-10-4-2-5-11-16)21-17-12-6-3-7-13-17/h16-17H,2-15H2,1H3,(H2,19,20,21).
What are the key properties of 1,3-dicyclohexyl-2-(4-methoxybutyl)guanidine?
1,3-dicyclohexyl-2-(4-methoxybutyl)guanidine has a molecular weight of 309.50 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dicyclohexyl-2-(4-methoxybutyl)guanidine is sourced from PubChem (CID 58988604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).