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

C17H30N4O2 — CID 109483551

IUPAC3-[2-(2,6-dioxopiperidin-1-yl)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine
SMILESC=CCCCCCN(C)/C(=N\C)NCCN1C(=O)CCCC1=O
InChIInChI=1S/C17H30N4O2/c1-4-5-6-7-8-13-20(3)17(18-2)19-12-14-21-15(22)10-9-11-16(21)23/h4H,1,5-14H2,2-3H3,(H,18,19)
InChIKeyMOMUHXBSMHJRHJ-UHFFFAOYSA-N
MW322.45 g/mol
LogP1.78
Rot. Bonds9

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

3-[2-(2,6-dioxopiperidin-1-yl)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine (PubChem CID 109483551) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is 3-[2-(2,6-dioxopiperidin-1-yl)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine.

Molecular Properties

Compound Name3-[2-(2,6-dioxopiperidin-1-yl)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine
PubChem CID109483551
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Name3-[2-(2,6-dioxopiperidin-1-yl)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine
SMILESC=CCCCCCN(C)/C(=N\C)NCCN1C(=O)CCCC1=O
InChIInChI=1S/C17H30N4O2/c1-4-5-6-7-8-13-20(3)17(18-2)19-12-14-21-15(22)10-9-11-16(21)23/h4H,1,5-14H2,2-3H3,(H,18,19)
InChIKeyMOMUHXBSMHJRHJ-UHFFFAOYSA-N
XLogP1.78
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 51.78
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 3-[2-(2,6-dioxopiperidin-1-yl)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine?
The IUPAC name of 3-[2-(2,6-dioxopiperidin-1-yl)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine (CID 109483551) is 3-[2-(2,6-dioxopiperidin-1-yl)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine.
What is the SMILES notation for 3-[2-(2,6-dioxopiperidin-1-yl)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine?
The canonical SMILES for 3-[2-(2,6-dioxopiperidin-1-yl)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine is C=CCCCCCN(C)/C(=N\C)NCCN1C(=O)CCCC1=O.
What is the InChIKey of 3-[2-(2,6-dioxopiperidin-1-yl)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine?
The InChIKey is MOMUHXBSMHJRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-4-5-6-7-8-13-20(3)17(18-2)19-12-14-21-15(22)10-9-11-16(21)23/h4H,1,5-14H2,2-3H3,(H,18,19).
What are the key properties of 3-[2-(2,6-dioxopiperidin-1-yl)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine?
3-[2-(2,6-dioxopiperidin-1-yl)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine has a molecular weight of 322.45 g/mol, XLogP of 1.78, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,6-dioxopiperidin-1-yl)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine is sourced from PubChem (CID 109483551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).