1-[3-[[ethylamino-[methyl(pent-4-enyl)amino]methylidene]amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide;hydroiodide

C19H38IN5O — CID 109497638

IUPAC1-[3-[[ethylamino-[methyl(pent-4-enyl)amino]methylidene]amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide;hydroiodide
SMILESC=CCCCN(C)/C(=N/CCCN1CCCC1C(=O)N(C)C)NCC.I
InChIInChI=1S/C19H37N5O.HI/c1-6-8-9-14-23(5)19(20-7-2)21-13-11-16-24-15-10-12-17(24)18(25)22(3)4;/h6,17H,1,7-16H2,2-5H3,(H,20,21);1H
InChIKeyFSXQAWUQDKHMRS-UHFFFAOYSA-N
MW479.45 g/mol
LogP2.41
Rot. Bonds10

About 1-[3-[[ethylamino-[methyl(pent-4-enyl)amino]methylidene]amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide;hydroiodide

1-[3-[[ethylamino-[methyl(pent-4-enyl)amino]methylidene]amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide;hydroiodide (PubChem CID 109497638) has the molecular formula C19H38IN5O and a molecular weight of 479.45 g/mol. Its IUPAC name is 1-[3-[[ethylamino-[methyl(pent-4-enyl)amino]methylidene]amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide;hydroiodide.

Molecular Properties

Compound Name1-[3-[[ethylamino-[methyl(pent-4-enyl)amino]methylidene]amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide;hydroiodide
PubChem CID109497638
Molecular FormulaC19H38IN5O
Molecular Weight479.45 g/mol
Exact Mass479.21
IUPAC Name1-[3-[[ethylamino-[methyl(pent-4-enyl)amino]methylidene]amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide;hydroiodide
SMILESC=CCCCN(C)/C(=N/CCCN1CCCC1C(=O)N(C)C)NCC.I
InChIInChI=1S/C19H37N5O.HI/c1-6-8-9-14-23(5)19(20-7-2)21-13-11-16-24-15-10-12-17(24)18(25)22(3)4;/h6,17H,1,7-16H2,2-5H3,(H,20,21);1H
InChIKeyFSXQAWUQDKHMRS-UHFFFAOYSA-N
XLogP2.41
TPSA51.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.45
LogP ≤ 52.41
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': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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
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;hydroiodide
CID 109483242
3-Ethyl-1-hept-6-enyl-1-methyl-2-[3-(2-oxopyrrolidin-1-yl)pentyl]guanidine
CID 109483243
3-Ethyl-2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-1-hept-6-enyl-1-methylguanidine;hydroiodide
CID 109483372
3-Ethyl-2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-1-hept-6-enyl-1-methylguanidine
CID 109483373
3-[3-(4-Ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide
CID 109483594
3-[3-(4-Ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-1-hept-6-enyl-1,2-dimethylguanidine
CID 109483595
1-[3-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide;hydroiodide
CID 109483700
1-[3-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 109483701

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[ethylamino-[methyl(pent-4-enyl)amino]methylidene]amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide;hydroiodide?
The IUPAC name of 1-[3-[[ethylamino-[methyl(pent-4-enyl)amino]methylidene]amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide;hydroiodide (CID 109497638) is 1-[3-[[ethylamino-[methyl(pent-4-enyl)amino]methylidene]amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide;hydroiodide.
What is the SMILES notation for 1-[3-[[ethylamino-[methyl(pent-4-enyl)amino]methylidene]amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide;hydroiodide?
The canonical SMILES for 1-[3-[[ethylamino-[methyl(pent-4-enyl)amino]methylidene]amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide;hydroiodide is C=CCCCN(C)/C(=N/CCCN1CCCC1C(=O)N(C)C)NCC.I.
What is the InChIKey of 1-[3-[[ethylamino-[methyl(pent-4-enyl)amino]methylidene]amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide;hydroiodide?
The InChIKey is FSXQAWUQDKHMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N5O.HI/c1-6-8-9-14-23(5)19(20-7-2)21-13-11-16-24-15-10-12-17(24)18(25)22(3)4;/h6,17H,1,7-16H2,2-5H3,(H,20,21);1H.
What are the key properties of 1-[3-[[ethylamino-[methyl(pent-4-enyl)amino]methylidene]amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide;hydroiodide?
1-[3-[[ethylamino-[methyl(pent-4-enyl)amino]methylidene]amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide;hydroiodide has a molecular weight of 479.45 g/mol, XLogP of 2.41, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[ethylamino-[methyl(pent-4-enyl)amino]methylidene]amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide;hydroiodide is sourced from PubChem (CID 109497638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).