3-[4-(1,3-dioxoisoindol-2-yl)butyl]-1-hept-6-enyl-1,2-dimethylguanidine

C22H32N4O2 — CID 109483783

IUPAC3-[4-(1,3-dioxoisoindol-2-yl)butyl]-1-hept-6-enyl-1,2-dimethylguanidine
SMILESC=CCCCCCN(C)/C(=N\C)NCCCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C22H32N4O2/c1-4-5-6-7-11-16-25(3)22(23-2)24-15-10-12-17-26-20(27)18-13-8-9-14-19(18)21(26)28/h4,8-9,13-14H,1,5-7,10-12,15-17H2,2-3H3,(H,23,24)
InChIKeyDTFUZYOOVVQNMS-UHFFFAOYSA-N
MW384.52 g/mol
LogP3.32
Rot. Bonds11

About 3-[4-(1,3-dioxoisoindol-2-yl)butyl]-1-hept-6-enyl-1,2-dimethylguanidine

3-[4-(1,3-dioxoisoindol-2-yl)butyl]-1-hept-6-enyl-1,2-dimethylguanidine (PubChem CID 109483783) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is 3-[4-(1,3-dioxoisoindol-2-yl)butyl]-1-hept-6-enyl-1,2-dimethylguanidine.

Molecular Properties

Compound Name3-[4-(1,3-dioxoisoindol-2-yl)butyl]-1-hept-6-enyl-1,2-dimethylguanidine
PubChem CID109483783
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC Name3-[4-(1,3-dioxoisoindol-2-yl)butyl]-1-hept-6-enyl-1,2-dimethylguanidine
SMILESC=CCCCCCN(C)/C(=N\C)NCCCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C22H32N4O2/c1-4-5-6-7-11-16-25(3)22(23-2)24-15-10-12-17-26-20(27)18-13-8-9-14-19(18)21(26)28/h4,8-9,13-14H,1,5-7,10-12,15-17H2,2-3H3,(H,23,24)
InChIKeyDTFUZYOOVVQNMS-UHFFFAOYSA-N
XLogP3.32
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 53.32
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'}

Analyze 3-[4-(1,3-dioxoisoindol-2-yl)butyl]-1-hept-6-enyl-1,2-dimethylguanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-pentadec-14-enylisoindole-1,3-dione
CID 140882474
1,2-dimethyl-3-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]-1-pent-4-enylguanidine
CID 109497601
methyl 5-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]pentanoate
CID 109483865
N-[2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]furan-2-carboxamide;hydroiodide
CID 109483752
methyl 3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propanoate
CID 109483183
3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-hept-6-enyl-1,2-dimethylguanidine
CID 109482977
1-hept-6-enyl-1,2-dimethyl-3-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]guanidine
CID 109483879
1,2-dimethyl-1-pent-4-enyl-3-[4-(1,2,4-triazol-4-yl)butyl]guanidine;hydroiodide
CID 109499111
1,2-dimethyl-1-pent-4-enyl-3-(4-phenylmethoxybutyl)guanidine
CID 109497077
2-chloro-N-[2-[(N,N'-dimethyl-N-pent-4-enylcarbamimidoyl)amino]ethyl]benzamide;hydroiodide
CID 109497231
3-[2-(2,6-dioxopiperidin-1-yl)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide
CID 109497277
1-[4-(1,3-dioxoisoindol-2-yl)butyl]-3-hexyl-2-methylguanidine;hydroiodide
CID 111827954

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1,3-dioxoisoindol-2-yl)butyl]-1-hept-6-enyl-1,2-dimethylguanidine?
The IUPAC name of 3-[4-(1,3-dioxoisoindol-2-yl)butyl]-1-hept-6-enyl-1,2-dimethylguanidine (CID 109483783) is 3-[4-(1,3-dioxoisoindol-2-yl)butyl]-1-hept-6-enyl-1,2-dimethylguanidine.
What is the SMILES notation for 3-[4-(1,3-dioxoisoindol-2-yl)butyl]-1-hept-6-enyl-1,2-dimethylguanidine?
The canonical SMILES for 3-[4-(1,3-dioxoisoindol-2-yl)butyl]-1-hept-6-enyl-1,2-dimethylguanidine is C=CCCCCCN(C)/C(=N\C)NCCCCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 3-[4-(1,3-dioxoisoindol-2-yl)butyl]-1-hept-6-enyl-1,2-dimethylguanidine?
The InChIKey is DTFUZYOOVVQNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2/c1-4-5-6-7-11-16-25(3)22(23-2)24-15-10-12-17-26-20(27)18-13-8-9-14-19(18)21(26)28/h4,8-9,13-14H,1,5-7,10-12,15-17H2,2-3H3,(H,23,24).
What are the key properties of 3-[4-(1,3-dioxoisoindol-2-yl)butyl]-1-hept-6-enyl-1,2-dimethylguanidine?
3-[4-(1,3-dioxoisoindol-2-yl)butyl]-1-hept-6-enyl-1,2-dimethylguanidine has a molecular weight of 384.52 g/mol, XLogP of 3.32, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1,3-dioxoisoindol-2-yl)butyl]-1-hept-6-enyl-1,2-dimethylguanidine is sourced from PubChem (CID 109483783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).