3-ethyl-1-hept-6-enyl-1-methyl-2-[3-(2-oxopyrrolidin-1-yl)pentyl]guanidine;hydroiodide

C20H39IN4O — CID 109483242

IUPAC3-ethyl-1-hept-6-enyl-1-methyl-2-[3-(2-oxopyrrolidin-1-yl)pentyl]guanidine;hydroiodide
SMILESC=CCCCCCN(C)/C(=N/CCC(CC)N1CCCC1=O)NCC.I
InChIInChI=1S/C20H38N4O.HI/c1-5-8-9-10-11-16-23(4)20(21-7-3)22-15-14-18(6-2)24-17-12-13-19(24)25;/h5,18H,1,6-17H2,2-4H3,(H,21,22);1H
InChIKeyVFPJUUKKQIIBAD-UHFFFAOYSA-N
MW478.46 g/mol
LogP4.04
Rot. Bonds12

About 3-ethyl-1-hept-6-enyl-1-methyl-2-[3-(2-oxopyrrolidin-1-yl)pentyl]guanidine;hydroiodide

3-ethyl-1-hept-6-enyl-1-methyl-2-[3-(2-oxopyrrolidin-1-yl)pentyl]guanidine;hydroiodide (PubChem CID 109483242) has the molecular formula C20H39IN4O and a molecular weight of 478.46 g/mol. Its IUPAC name is 3-ethyl-1-hept-6-enyl-1-methyl-2-[3-(2-oxopyrrolidin-1-yl)pentyl]guanidine;hydroiodide.

Molecular Properties

Compound Name3-ethyl-1-hept-6-enyl-1-methyl-2-[3-(2-oxopyrrolidin-1-yl)pentyl]guanidine;hydroiodide
PubChem CID109483242
Molecular FormulaC20H39IN4O
Molecular Weight478.46 g/mol
Exact Mass478.22
IUPAC Name3-ethyl-1-hept-6-enyl-1-methyl-2-[3-(2-oxopyrrolidin-1-yl)pentyl]guanidine;hydroiodide
SMILESC=CCCCCCN(C)/C(=N/CCC(CC)N1CCCC1=O)NCC.I
InChIInChI=1S/C20H38N4O.HI/c1-5-8-9-10-11-16-23(4)20(21-7-3)22-15-14-18(6-2)24-17-12-13-19(24)25;/h5,18H,1,6-17H2,2-4H3,(H,21,22);1H
InChIKeyVFPJUUKKQIIBAD-UHFFFAOYSA-N
XLogP4.04
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.46
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-ethyl-1-hept-6-enyl-1-methyl-2-[3-(2-oxopyrrolidin-1-yl)pentyl]guanidine;hydroiodide 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

N-cyclopentyl-3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propanamide;hydroiodide
CID 109482892
N-cyclopentyl-3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propanamide
CID 109482893
3-Ethyl-1-hept-6-enyl-1-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 109483030
3-Ethyl-1-hept-6-enyl-1-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
CID 109483031
N-butan-2-yl-3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propanamide;hydroiodide
CID 109483052
N-butan-2-yl-3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propanamide
CID 109483053
N-cyclopropyl-4-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]butanamide;hydroiodide
CID 109483222
N-cyclopropyl-4-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]butanamide
CID 109483223
1-[3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide;hydroiodide
CID 109483228
1-[3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 109483229
3-Ethyl-1-hept-6-enyl-1-methyl-2-[3-(2-oxopyrrolidin-1-yl)pentyl]guanidine
CID 109483243
N-cyclohexyl-3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propanamide;hydroiodide
CID 109483298

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-hept-6-enyl-1-methyl-2-[3-(2-oxopyrrolidin-1-yl)pentyl]guanidine;hydroiodide?
The IUPAC name of 3-ethyl-1-hept-6-enyl-1-methyl-2-[3-(2-oxopyrrolidin-1-yl)pentyl]guanidine;hydroiodide (CID 109483242) is 3-ethyl-1-hept-6-enyl-1-methyl-2-[3-(2-oxopyrrolidin-1-yl)pentyl]guanidine;hydroiodide.
What is the SMILES notation for 3-ethyl-1-hept-6-enyl-1-methyl-2-[3-(2-oxopyrrolidin-1-yl)pentyl]guanidine;hydroiodide?
The canonical SMILES for 3-ethyl-1-hept-6-enyl-1-methyl-2-[3-(2-oxopyrrolidin-1-yl)pentyl]guanidine;hydroiodide is C=CCCCCCN(C)/C(=N/CCC(CC)N1CCCC1=O)NCC.I.
What is the InChIKey of 3-ethyl-1-hept-6-enyl-1-methyl-2-[3-(2-oxopyrrolidin-1-yl)pentyl]guanidine;hydroiodide?
The InChIKey is VFPJUUKKQIIBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N4O.HI/c1-5-8-9-10-11-16-23(4)20(21-7-3)22-15-14-18(6-2)24-17-12-13-19(24)25;/h5,18H,1,6-17H2,2-4H3,(H,21,22);1H.
What are the key properties of 3-ethyl-1-hept-6-enyl-1-methyl-2-[3-(2-oxopyrrolidin-1-yl)pentyl]guanidine;hydroiodide?
3-ethyl-1-hept-6-enyl-1-methyl-2-[3-(2-oxopyrrolidin-1-yl)pentyl]guanidine;hydroiodide has a molecular weight of 478.46 g/mol, XLogP of 4.04, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-hept-6-enyl-1-methyl-2-[3-(2-oxopyrrolidin-1-yl)pentyl]guanidine;hydroiodide is sourced from PubChem (CID 109483242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).