3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine

C15H27N5O2 — CID 109483075

IUPAC3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine
SMILESC=CCCCCCN(C)/C(=N\C)NCCN1C(=O)CNC1=O
InChIInChI=1S/C15H27N5O2/c1-4-5-6-7-8-10-19(3)14(16-2)17-9-11-20-13(21)12-18-15(20)22/h4H,1,5-12H2,2-3H3,(H,16,17)(H,18,22)
InChIKeyCSWWJIRHWMQJFW-UHFFFAOYSA-N
MW309.41 g/mol
LogP0.79
Rot. Bonds9

About 3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine

3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine (PubChem CID 109483075) has the molecular formula C15H27N5O2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine.

Molecular Properties

Compound Name3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine
PubChem CID109483075
Molecular FormulaC15H27N5O2
Molecular Weight309.41 g/mol
Exact Mass309.22
IUPAC Name3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine
SMILESC=CCCCCCN(C)/C(=N\C)NCCN1C(=O)CNC1=O
InChIInChI=1S/C15H27N5O2/c1-4-5-6-7-8-10-19(3)14(16-2)17-9-11-20-13(21)12-18-15(20)22/h4H,1,5-12H2,2-3H3,(H,16,17)(H,18,22)
InChIKeyCSWWJIRHWMQJFW-UHFFFAOYSA-N
XLogP0.79
TPSA77.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine?
The IUPAC name of 3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine (CID 109483075) is 3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine.
What is the SMILES notation for 3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine?
The canonical SMILES for 3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine is C=CCCCCCN(C)/C(=N\C)NCCN1C(=O)CNC1=O.
What is the InChIKey of 3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine?
The InChIKey is CSWWJIRHWMQJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O2/c1-4-5-6-7-8-10-19(3)14(16-2)17-9-11-20-13(21)12-18-15(20)22/h4H,1,5-12H2,2-3H3,(H,16,17)(H,18,22).
What are the key properties of 3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine?
3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine has a molecular weight of 309.41 g/mol, XLogP of 0.79, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine is sourced from PubChem (CID 109483075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).