3-ethyl-1-hept-6-enyl-1-methyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide

C17H35IN4O — CID 109483184

IUPAC3-ethyl-1-hept-6-enyl-1-methyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide
SMILESC=CCCCCCN(C)/C(=N/CC1CN(C)CCO1)NCC.I
InChIInChI=1S/C17H34N4O.HI/c1-5-7-8-9-10-11-21(4)17(18-6-2)19-14-16-15-20(3)12-13-22-16;/h5,16H,1,6-15H2,2-4H3,(H,18,19);1H
InChIKeyVFGAFXJPZKTXSY-UHFFFAOYSA-N
MW438.40 g/mol
LogP2.58
Rot. Bonds9

About 3-ethyl-1-hept-6-enyl-1-methyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide

3-ethyl-1-hept-6-enyl-1-methyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide (PubChem CID 109483184) has the molecular formula C17H35IN4O and a molecular weight of 438.40 g/mol. Its IUPAC name is 3-ethyl-1-hept-6-enyl-1-methyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name3-ethyl-1-hept-6-enyl-1-methyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide
PubChem CID109483184
Molecular FormulaC17H35IN4O
Molecular Weight438.40 g/mol
Exact Mass438.19
IUPAC Name3-ethyl-1-hept-6-enyl-1-methyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide
SMILESC=CCCCCCN(C)/C(=N/CC1CN(C)CCO1)NCC.I
InChIInChI=1S/C17H34N4O.HI/c1-5-7-8-9-10-11-21(4)17(18-6-2)19-14-16-15-20(3)12-13-22-16;/h5,16H,1,6-15H2,2-4H3,(H,18,19);1H
InChIKeyVFGAFXJPZKTXSY-UHFFFAOYSA-N
XLogP2.58
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.40
LogP ≤ 52.58
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'}

Analyze 3-ethyl-1-hept-6-enyl-1-methyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-hept-6-enyl-1-methyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide?
The IUPAC name of 3-ethyl-1-hept-6-enyl-1-methyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide (CID 109483184) is 3-ethyl-1-hept-6-enyl-1-methyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 3-ethyl-1-hept-6-enyl-1-methyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide?
The canonical SMILES for 3-ethyl-1-hept-6-enyl-1-methyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide is C=CCCCCCN(C)/C(=N/CC1CN(C)CCO1)NCC.I.
What is the InChIKey of 3-ethyl-1-hept-6-enyl-1-methyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide?
The InChIKey is VFGAFXJPZKTXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O.HI/c1-5-7-8-9-10-11-21(4)17(18-6-2)19-14-16-15-20(3)12-13-22-16;/h5,16H,1,6-15H2,2-4H3,(H,18,19);1H.
What are the key properties of 3-ethyl-1-hept-6-enyl-1-methyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide?
3-ethyl-1-hept-6-enyl-1-methyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide has a molecular weight of 438.40 g/mol, XLogP of 2.58, 9 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-1-methyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 109483184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).