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

C20H38N4O — CID 109483243

IUPAC3-ethyl-1-hept-6-enyl-1-methyl-2-[3-(2-oxopyrrolidin-1-yl)pentyl]guanidine
SMILESC=CCCCCCN(C)/C(=N/CCC(CC)N1CCCC1=O)NCC
InChIInChI=1S/C20H38N4O/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)
InChIKeyFSFSVFBGBFTXAV-UHFFFAOYSA-N
MW350.55 g/mol
LogP3.42
Rot. Bonds12

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

3-ethyl-1-hept-6-enyl-1-methyl-2-[3-(2-oxopyrrolidin-1-yl)pentyl]guanidine (PubChem CID 109483243) has the molecular formula C20H38N4O and a molecular weight of 350.55 g/mol. Its IUPAC name is 3-ethyl-1-hept-6-enyl-1-methyl-2-[3-(2-oxopyrrolidin-1-yl)pentyl]guanidine.

Molecular Properties

Compound Name3-ethyl-1-hept-6-enyl-1-methyl-2-[3-(2-oxopyrrolidin-1-yl)pentyl]guanidine
PubChem CID109483243
Molecular FormulaC20H38N4O
Molecular Weight350.55 g/mol
Exact Mass350.30
IUPAC Name3-ethyl-1-hept-6-enyl-1-methyl-2-[3-(2-oxopyrrolidin-1-yl)pentyl]guanidine
SMILESC=CCCCCCN(C)/C(=N/CCC(CC)N1CCCC1=O)NCC
InChIInChI=1S/C20H38N4O/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)
InChIKeyFSFSVFBGBFTXAV-UHFFFAOYSA-N
XLogP3.42
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.55
LogP ≤ 53.42
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': 'isolated_alkene', 'substructure': 'N/A'}

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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;hydroiodide
CID 109483242
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?
The IUPAC name of 3-ethyl-1-hept-6-enyl-1-methyl-2-[3-(2-oxopyrrolidin-1-yl)pentyl]guanidine (CID 109483243) is 3-ethyl-1-hept-6-enyl-1-methyl-2-[3-(2-oxopyrrolidin-1-yl)pentyl]guanidine.
What is the SMILES notation for 3-ethyl-1-hept-6-enyl-1-methyl-2-[3-(2-oxopyrrolidin-1-yl)pentyl]guanidine?
The canonical SMILES for 3-ethyl-1-hept-6-enyl-1-methyl-2-[3-(2-oxopyrrolidin-1-yl)pentyl]guanidine is C=CCCCCCN(C)/C(=N/CCC(CC)N1CCCC1=O)NCC.
What is the InChIKey of 3-ethyl-1-hept-6-enyl-1-methyl-2-[3-(2-oxopyrrolidin-1-yl)pentyl]guanidine?
The InChIKey is FSFSVFBGBFTXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N4O/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).
What are the key properties of 3-ethyl-1-hept-6-enyl-1-methyl-2-[3-(2-oxopyrrolidin-1-yl)pentyl]guanidine?
3-ethyl-1-hept-6-enyl-1-methyl-2-[3-(2-oxopyrrolidin-1-yl)pentyl]guanidine has a molecular weight of 350.55 g/mol, XLogP of 3.42, 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 is sourced from PubChem (CID 109483243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).