1-hept-6-enyl-1,2-dimethyl-3-(4-morpholin-4-ylbutyl)guanidine;hydroiodide

C18H37IN4O — CID 109482918

IUPAC1-hept-6-enyl-1,2-dimethyl-3-(4-morpholin-4-ylbutyl)guanidine;hydroiodide
SMILESC=CCCCCCN(C)/C(=N\C)NCCCCN1CCOCC1.I
InChIInChI=1S/C18H36N4O.HI/c1-4-5-6-7-9-12-21(3)18(19-2)20-11-8-10-13-22-14-16-23-17-15-22;/h4H,1,5-17H2,2-3H3,(H,19,20);1H
InChIKeyZBVMECIRASFDHD-UHFFFAOYSA-N
MW452.43 g/mol
LogP2.97
Rot. Bonds11

About 1-hept-6-enyl-1,2-dimethyl-3-(4-morpholin-4-ylbutyl)guanidine;hydroiodide

1-hept-6-enyl-1,2-dimethyl-3-(4-morpholin-4-ylbutyl)guanidine;hydroiodide (PubChem CID 109482918) has the molecular formula C18H37IN4O and a molecular weight of 452.43 g/mol. Its IUPAC name is 1-hept-6-enyl-1,2-dimethyl-3-(4-morpholin-4-ylbutyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-hept-6-enyl-1,2-dimethyl-3-(4-morpholin-4-ylbutyl)guanidine;hydroiodide
PubChem CID109482918
Molecular FormulaC18H37IN4O
Molecular Weight452.43 g/mol
Exact Mass452.20
IUPAC Name1-hept-6-enyl-1,2-dimethyl-3-(4-morpholin-4-ylbutyl)guanidine;hydroiodide
SMILESC=CCCCCCN(C)/C(=N\C)NCCCCN1CCOCC1.I
InChIInChI=1S/C18H36N4O.HI/c1-4-5-6-7-9-12-21(3)18(19-2)20-11-8-10-13-22-14-16-23-17-15-22;/h4H,1,5-17H2,2-3H3,(H,19,20);1H
InChIKeyZBVMECIRASFDHD-UHFFFAOYSA-N
XLogP2.97
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.43
LogP ≤ 52.97
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

1-Hept-6-enyl-1,2-dimethyl-3-(4-morpholin-4-ylbutyl)guanidine
CID 109482919
2-(2-Ethoxyethyl)-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide
CID 109483046
2-(2-Ethoxyethyl)-3-ethyl-1-hept-6-enyl-1-methylguanidine
CID 109483047
1-Hept-6-enyl-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1,2-dimethylguanidine;hydroiodide
CID 109483098
1-Hept-6-enyl-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1,2-dimethylguanidine
CID 109483099
1-Hept-6-enyl-3-[2-(2-methoxyethoxy)ethyl]-1,2-dimethylguanidine;hydroiodide
CID 109483152
3-Ethyl-1-hept-6-enyl-1-methyl-2-(4-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 109483158
3-Ethyl-1-hept-6-enyl-1-methyl-2-(4-morpholin-4-ylbutyl)guanidine
CID 109483159
3-Ethyl-1-hept-6-enyl-1-methyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide
CID 109483184
3-Ethyl-1-hept-6-enyl-1-methyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine
CID 109483185
1-Hept-6-enyl-3-(2-methoxyethyl)-1,2-dimethylguanidine;hydroiodide
CID 109483196
1-Hept-6-enyl-3-(2-methoxyethyl)-1,2-dimethylguanidine
CID 109483197

Frequently Asked Questions

What is the IUPAC name of 1-hept-6-enyl-1,2-dimethyl-3-(4-morpholin-4-ylbutyl)guanidine;hydroiodide?
The IUPAC name of 1-hept-6-enyl-1,2-dimethyl-3-(4-morpholin-4-ylbutyl)guanidine;hydroiodide (CID 109482918) is 1-hept-6-enyl-1,2-dimethyl-3-(4-morpholin-4-ylbutyl)guanidine;hydroiodide.
What is the SMILES notation for 1-hept-6-enyl-1,2-dimethyl-3-(4-morpholin-4-ylbutyl)guanidine;hydroiodide?
The canonical SMILES for 1-hept-6-enyl-1,2-dimethyl-3-(4-morpholin-4-ylbutyl)guanidine;hydroiodide is C=CCCCCCN(C)/C(=N\C)NCCCCN1CCOCC1.I.
What is the InChIKey of 1-hept-6-enyl-1,2-dimethyl-3-(4-morpholin-4-ylbutyl)guanidine;hydroiodide?
The InChIKey is ZBVMECIRASFDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N4O.HI/c1-4-5-6-7-9-12-21(3)18(19-2)20-11-8-10-13-22-14-16-23-17-15-22;/h4H,1,5-17H2,2-3H3,(H,19,20);1H.
What are the key properties of 1-hept-6-enyl-1,2-dimethyl-3-(4-morpholin-4-ylbutyl)guanidine;hydroiodide?
1-hept-6-enyl-1,2-dimethyl-3-(4-morpholin-4-ylbutyl)guanidine;hydroiodide has a molecular weight of 452.43 g/mol, XLogP of 2.97, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hept-6-enyl-1,2-dimethyl-3-(4-morpholin-4-ylbutyl)guanidine;hydroiodide is sourced from PubChem (CID 109482918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).