1-(3-ethoxy-2,2-diethylcyclobutyl)-2-methyl-3-(4-morpholin-4-ylbutyl)guanidine

C20H40N4O2 — CID 109390312

IUPAC1-(3-ethoxy-2,2-diethylcyclobutyl)-2-methyl-3-(4-morpholin-4-ylbutyl)guanidine
SMILESCCOC1CC(N/C(=N/C)NCCCCN2CCOCC2)C1(CC)CC
InChIInChI=1S/C20H40N4O2/c1-5-20(6-2)17(16-18(20)26-7-3)23-19(21-4)22-10-8-9-11-24-12-14-25-15-13-24/h17-18H,5-16H2,1-4H3,(H2,21,22,23)
InChIKeyVTBIXPMGMUOKAD-UHFFFAOYSA-N
MW368.57 g/mol
LogP2.25
Rot. Bonds10

About 1-(3-ethoxy-2,2-diethylcyclobutyl)-2-methyl-3-(4-morpholin-4-ylbutyl)guanidine

1-(3-ethoxy-2,2-diethylcyclobutyl)-2-methyl-3-(4-morpholin-4-ylbutyl)guanidine (PubChem CID 109390312) has the molecular formula C20H40N4O2 and a molecular weight of 368.57 g/mol. Its IUPAC name is 1-(3-ethoxy-2,2-diethylcyclobutyl)-2-methyl-3-(4-morpholin-4-ylbutyl)guanidine.

Molecular Properties

Compound Name1-(3-ethoxy-2,2-diethylcyclobutyl)-2-methyl-3-(4-morpholin-4-ylbutyl)guanidine
PubChem CID109390312
Molecular FormulaC20H40N4O2
Molecular Weight368.57 g/mol
Exact Mass368.32
IUPAC Name1-(3-ethoxy-2,2-diethylcyclobutyl)-2-methyl-3-(4-morpholin-4-ylbutyl)guanidine
SMILESCCOC1CC(N/C(=N/C)NCCCCN2CCOCC2)C1(CC)CC
InChIInChI=1S/C20H40N4O2/c1-5-20(6-2)17(16-18(20)26-7-3)23-19(21-4)22-10-8-9-11-24-12-14-25-15-13-24/h17-18H,5-16H2,1-4H3,(H2,21,22,23)
InChIKeyVTBIXPMGMUOKAD-UHFFFAOYSA-N
XLogP2.25
TPSA58.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.57
LogP ≤ 52.25
H-Bond Donors ≤ 52
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-ethoxy-2,2-diethylcyclobutyl)-2-methyl-3-(4-morpholin-4-ylbutyl)guanidine?
The IUPAC name of 1-(3-ethoxy-2,2-diethylcyclobutyl)-2-methyl-3-(4-morpholin-4-ylbutyl)guanidine (CID 109390312) is 1-(3-ethoxy-2,2-diethylcyclobutyl)-2-methyl-3-(4-morpholin-4-ylbutyl)guanidine.
What is the SMILES notation for 1-(3-ethoxy-2,2-diethylcyclobutyl)-2-methyl-3-(4-morpholin-4-ylbutyl)guanidine?
The canonical SMILES for 1-(3-ethoxy-2,2-diethylcyclobutyl)-2-methyl-3-(4-morpholin-4-ylbutyl)guanidine is CCOC1CC(N/C(=N/C)NCCCCN2CCOCC2)C1(CC)CC.
What is the InChIKey of 1-(3-ethoxy-2,2-diethylcyclobutyl)-2-methyl-3-(4-morpholin-4-ylbutyl)guanidine?
The InChIKey is VTBIXPMGMUOKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N4O2/c1-5-20(6-2)17(16-18(20)26-7-3)23-19(21-4)22-10-8-9-11-24-12-14-25-15-13-24/h17-18H,5-16H2,1-4H3,(H2,21,22,23).
What are the key properties of 1-(3-ethoxy-2,2-diethylcyclobutyl)-2-methyl-3-(4-morpholin-4-ylbutyl)guanidine?
1-(3-ethoxy-2,2-diethylcyclobutyl)-2-methyl-3-(4-morpholin-4-ylbutyl)guanidine has a molecular weight of 368.57 g/mol, XLogP of 2.25, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-2,2-diethylcyclobutyl)-2-methyl-3-(4-morpholin-4-ylbutyl)guanidine is sourced from PubChem (CID 109390312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).