2-[2-(2,6-dioxopiperidin-1-yl)ethyl]-3-ethyl-1-methyl-1-pent-4-enylguanidine

C16H28N4O2 — CID 109496764

IUPAC2-[2-(2,6-dioxopiperidin-1-yl)ethyl]-3-ethyl-1-methyl-1-pent-4-enylguanidine
SMILESC=CCCCN(C)/C(=N/CCN1C(=O)CCCC1=O)NCC
InChIInChI=1S/C16H28N4O2/c1-4-6-7-12-19(3)16(17-5-2)18-11-13-20-14(21)9-8-10-15(20)22/h4H,1,5-13H2,2-3H3,(H,17,18)
InChIKeyVAYLUDFBTAHCEB-UHFFFAOYSA-N
MW308.43 g/mol
LogP1.39
Rot. Bonds8

About 2-[2-(2,6-dioxopiperidin-1-yl)ethyl]-3-ethyl-1-methyl-1-pent-4-enylguanidine

2-[2-(2,6-dioxopiperidin-1-yl)ethyl]-3-ethyl-1-methyl-1-pent-4-enylguanidine (PubChem CID 109496764) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 2-[2-(2,6-dioxopiperidin-1-yl)ethyl]-3-ethyl-1-methyl-1-pent-4-enylguanidine.

Molecular Properties

Compound Name2-[2-(2,6-dioxopiperidin-1-yl)ethyl]-3-ethyl-1-methyl-1-pent-4-enylguanidine
PubChem CID109496764
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name2-[2-(2,6-dioxopiperidin-1-yl)ethyl]-3-ethyl-1-methyl-1-pent-4-enylguanidine
SMILESC=CCCCN(C)/C(=N/CCN1C(=O)CCCC1=O)NCC
InChIInChI=1S/C16H28N4O2/c1-4-6-7-12-19(3)16(17-5-2)18-11-13-20-14(21)9-8-10-15(20)22/h4H,1,5-13H2,2-3H3,(H,17,18)
InChIKeyVAYLUDFBTAHCEB-UHFFFAOYSA-N
XLogP1.39
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 51.39
H-Bond Donors ≤ 51
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dioxopiperidin-1-yl)ethyl]-3-ethyl-1-methyl-1-pent-4-enylguanidine?
The IUPAC name of 2-[2-(2,6-dioxopiperidin-1-yl)ethyl]-3-ethyl-1-methyl-1-pent-4-enylguanidine (CID 109496764) is 2-[2-(2,6-dioxopiperidin-1-yl)ethyl]-3-ethyl-1-methyl-1-pent-4-enylguanidine.
What is the SMILES notation for 2-[2-(2,6-dioxopiperidin-1-yl)ethyl]-3-ethyl-1-methyl-1-pent-4-enylguanidine?
The canonical SMILES for 2-[2-(2,6-dioxopiperidin-1-yl)ethyl]-3-ethyl-1-methyl-1-pent-4-enylguanidine is C=CCCCN(C)/C(=N/CCN1C(=O)CCCC1=O)NCC.
What is the InChIKey of 2-[2-(2,6-dioxopiperidin-1-yl)ethyl]-3-ethyl-1-methyl-1-pent-4-enylguanidine?
The InChIKey is VAYLUDFBTAHCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-4-6-7-12-19(3)16(17-5-2)18-11-13-20-14(21)9-8-10-15(20)22/h4H,1,5-13H2,2-3H3,(H,17,18).
What are the key properties of 2-[2-(2,6-dioxopiperidin-1-yl)ethyl]-3-ethyl-1-methyl-1-pent-4-enylguanidine?
2-[2-(2,6-dioxopiperidin-1-yl)ethyl]-3-ethyl-1-methyl-1-pent-4-enylguanidine has a molecular weight of 308.43 g/mol, XLogP of 1.39, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-dioxopiperidin-1-yl)ethyl]-3-ethyl-1-methyl-1-pent-4-enylguanidine is sourced from PubChem (CID 109496764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).