3-ethyl-1-hept-6-enyl-2-(2-methoxyethyl)-1-methylguanidine;hydroiodide

C14H30IN3O — CID 109483884

IUPAC3-ethyl-1-hept-6-enyl-2-(2-methoxyethyl)-1-methylguanidine;hydroiodide
SMILESC=CCCCCCN(C)/C(=N\CCOC)NCC.I
InChIInChI=1S/C14H29N3O.HI/c1-5-7-8-9-10-12-17(3)14(15-6-2)16-11-13-18-4;/h5H,1,6-13H2,2-4H3,(H,15,16);1H
InChIKeyVVSAEHQSHPOWKZ-UHFFFAOYSA-N
MW383.32 g/mol
LogP2.89
Rot. Bonds10

About 3-ethyl-1-hept-6-enyl-2-(2-methoxyethyl)-1-methylguanidine;hydroiodide

3-ethyl-1-hept-6-enyl-2-(2-methoxyethyl)-1-methylguanidine;hydroiodide (PubChem CID 109483884) has the molecular formula C14H30IN3O and a molecular weight of 383.32 g/mol. Its IUPAC name is 3-ethyl-1-hept-6-enyl-2-(2-methoxyethyl)-1-methylguanidine;hydroiodide.

Molecular Properties

Compound Name3-ethyl-1-hept-6-enyl-2-(2-methoxyethyl)-1-methylguanidine;hydroiodide
PubChem CID109483884
Molecular FormulaC14H30IN3O
Molecular Weight383.32 g/mol
Exact Mass383.14
IUPAC Name3-ethyl-1-hept-6-enyl-2-(2-methoxyethyl)-1-methylguanidine;hydroiodide
SMILESC=CCCCCCN(C)/C(=N\CCOC)NCC.I
InChIInChI=1S/C14H29N3O.HI/c1-5-7-8-9-10-12-17(3)14(15-6-2)16-11-13-18-4;/h5H,1,6-13H2,2-4H3,(H,15,16);1H
InChIKeyVVSAEHQSHPOWKZ-UHFFFAOYSA-N
XLogP2.89
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.32
LogP ≤ 52.89
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-hept-6-enyl-2-(2-methoxyethyl)-1-methylguanidine;hydroiodide?
The IUPAC name of 3-ethyl-1-hept-6-enyl-2-(2-methoxyethyl)-1-methylguanidine;hydroiodide (CID 109483884) is 3-ethyl-1-hept-6-enyl-2-(2-methoxyethyl)-1-methylguanidine;hydroiodide.
What is the SMILES notation for 3-ethyl-1-hept-6-enyl-2-(2-methoxyethyl)-1-methylguanidine;hydroiodide?
The canonical SMILES for 3-ethyl-1-hept-6-enyl-2-(2-methoxyethyl)-1-methylguanidine;hydroiodide is C=CCCCCCN(C)/C(=N\CCOC)NCC.I.
What is the InChIKey of 3-ethyl-1-hept-6-enyl-2-(2-methoxyethyl)-1-methylguanidine;hydroiodide?
The InChIKey is VVSAEHQSHPOWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O.HI/c1-5-7-8-9-10-12-17(3)14(15-6-2)16-11-13-18-4;/h5H,1,6-13H2,2-4H3,(H,15,16);1H.
What are the key properties of 3-ethyl-1-hept-6-enyl-2-(2-methoxyethyl)-1-methylguanidine;hydroiodide?
3-ethyl-1-hept-6-enyl-2-(2-methoxyethyl)-1-methylguanidine;hydroiodide has a molecular weight of 383.32 g/mol, XLogP of 2.89, 10 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-2-(2-methoxyethyl)-1-methylguanidine;hydroiodide is sourced from PubChem (CID 109483884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).