3-ethyl-1-hept-6-enyl-2-[3-(2-methoxyethoxy)propyl]-1-methylguanidine;hydroiodide

C17H36IN3O2 — CID 109483726

IUPAC3-ethyl-1-hept-6-enyl-2-[3-(2-methoxyethoxy)propyl]-1-methylguanidine;hydroiodide
SMILESC=CCCCCCN(C)/C(=N\CCCOCCOC)NCC.I
InChIInChI=1S/C17H35N3O2.HI/c1-5-7-8-9-10-13-20(3)17(18-6-2)19-12-11-14-22-16-15-21-4;/h5H,1,6-16H2,2-4H3,(H,18,19);1H
InChIKeyYBMWWXOUVMOBNP-UHFFFAOYSA-N
MW441.40 g/mol
LogP3.30
Rot. Bonds14

About 3-ethyl-1-hept-6-enyl-2-[3-(2-methoxyethoxy)propyl]-1-methylguanidine;hydroiodide

3-ethyl-1-hept-6-enyl-2-[3-(2-methoxyethoxy)propyl]-1-methylguanidine;hydroiodide (PubChem CID 109483726) has the molecular formula C17H36IN3O2 and a molecular weight of 441.40 g/mol. Its IUPAC name is 3-ethyl-1-hept-6-enyl-2-[3-(2-methoxyethoxy)propyl]-1-methylguanidine;hydroiodide.

Molecular Properties

Compound Name3-ethyl-1-hept-6-enyl-2-[3-(2-methoxyethoxy)propyl]-1-methylguanidine;hydroiodide
PubChem CID109483726
Molecular FormulaC17H36IN3O2
Molecular Weight441.40 g/mol
Exact Mass441.19
IUPAC Name3-ethyl-1-hept-6-enyl-2-[3-(2-methoxyethoxy)propyl]-1-methylguanidine;hydroiodide
SMILESC=CCCCCCN(C)/C(=N\CCCOCCOC)NCC.I
InChIInChI=1S/C17H35N3O2.HI/c1-5-7-8-9-10-13-20(3)17(18-6-2)19-12-11-14-22-16-15-21-4;/h5H,1,6-16H2,2-4H3,(H,18,19);1H
InChIKeyYBMWWXOUVMOBNP-UHFFFAOYSA-N
XLogP3.30
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.40
LogP ≤ 53.30
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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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-hept-6-enyl-2-[3-(2-methoxyethoxy)propyl]-1-methylguanidine;hydroiodide?
The IUPAC name of 3-ethyl-1-hept-6-enyl-2-[3-(2-methoxyethoxy)propyl]-1-methylguanidine;hydroiodide (CID 109483726) is 3-ethyl-1-hept-6-enyl-2-[3-(2-methoxyethoxy)propyl]-1-methylguanidine;hydroiodide.
What is the SMILES notation for 3-ethyl-1-hept-6-enyl-2-[3-(2-methoxyethoxy)propyl]-1-methylguanidine;hydroiodide?
The canonical SMILES for 3-ethyl-1-hept-6-enyl-2-[3-(2-methoxyethoxy)propyl]-1-methylguanidine;hydroiodide is C=CCCCCCN(C)/C(=N\CCCOCCOC)NCC.I.
What is the InChIKey of 3-ethyl-1-hept-6-enyl-2-[3-(2-methoxyethoxy)propyl]-1-methylguanidine;hydroiodide?
The InChIKey is YBMWWXOUVMOBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O2.HI/c1-5-7-8-9-10-13-20(3)17(18-6-2)19-12-11-14-22-16-15-21-4;/h5H,1,6-16H2,2-4H3,(H,18,19);1H.
What are the key properties of 3-ethyl-1-hept-6-enyl-2-[3-(2-methoxyethoxy)propyl]-1-methylguanidine;hydroiodide?
3-ethyl-1-hept-6-enyl-2-[3-(2-methoxyethoxy)propyl]-1-methylguanidine;hydroiodide has a molecular weight of 441.40 g/mol, XLogP of 3.30, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-hept-6-enyl-2-[3-(2-methoxyethoxy)propyl]-1-methylguanidine;hydroiodide is sourced from PubChem (CID 109483726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).