3-ethyl-1-hept-6-enyl-1-methyl-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide

C19H38IN3O2 — CID 109483014

IUPAC3-ethyl-1-hept-6-enyl-1-methyl-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
SMILESC=CCCCCCN(C)/C(=N/CCCOCC1CCCO1)NCC.I
InChIInChI=1S/C19H37N3O2.HI/c1-4-6-7-8-9-14-22(3)19(20-5-2)21-13-11-15-23-17-18-12-10-16-24-18;/h4,18H,1,5-17H2,2-3H3,(H,20,21);1H
InChIKeyZPROVNXDRPWTEK-UHFFFAOYSA-N
MW467.44 g/mol
LogP3.83
Rot. Bonds13

About 3-ethyl-1-hept-6-enyl-1-methyl-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide

3-ethyl-1-hept-6-enyl-1-methyl-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide (PubChem CID 109483014) has the molecular formula C19H38IN3O2 and a molecular weight of 467.44 g/mol. Its IUPAC name is 3-ethyl-1-hept-6-enyl-1-methyl-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide.

Molecular Properties

Compound Name3-ethyl-1-hept-6-enyl-1-methyl-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
PubChem CID109483014
Molecular FormulaC19H38IN3O2
Molecular Weight467.44 g/mol
Exact Mass467.20
IUPAC Name3-ethyl-1-hept-6-enyl-1-methyl-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
SMILESC=CCCCCCN(C)/C(=N/CCCOCC1CCCO1)NCC.I
InChIInChI=1S/C19H37N3O2.HI/c1-4-6-7-8-9-14-22(3)19(20-5-2)21-13-11-15-23-17-18-12-10-16-24-18;/h4,18H,1,5-17H2,2-3H3,(H,20,21);1H
InChIKeyZPROVNXDRPWTEK-UHFFFAOYSA-N
XLogP3.83
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.44
LogP ≤ 53.83
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-[3-(oxolan-2-ylmethoxy)propyl]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

Related Compounds

N'-methyl-4-(oxolan-2-ylmethoxy)-N-[(E)-pent-3-enyl]piperidine-1-carboximidamide;hydroiodide
CID 75512877
N'-methyl-4-(oxolan-2-ylmethoxy)-N-[(E)-pent-3-enyl]piperidine-1-carboximidamide
CID 75512878
N'-methyl-4-(oxolan-2-ylmethoxy)-N-pent-3-enylpiperidine-1-carboximidamide
CID 91943166
N'-methyl-4-(oxolan-2-ylmethoxy)-N-pent-3-enylpiperidine-1-carboximidamide;hydroiodide
CID 91943167
3-Ethyl-1-hept-6-enyl-1-methyl-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine
CID 109483015
1-Hept-6-enyl-1,2-dimethyl-3-(3-propan-2-yloxypropyl)guanidine;hydroiodide
CID 109483174
1-Hept-6-enyl-1,2-dimethyl-3-(3-propan-2-yloxypropyl)guanidine
CID 109483175
3-Ethyl-1-hept-6-enyl-1-methyl-2-[2-(oxolan-2-yl)ethyl]guanidine;hydroiodide
CID 109483284
3-Ethyl-1-hept-6-enyl-1-methyl-2-[2-(oxolan-2-yl)ethyl]guanidine
CID 109483285
1-Hept-6-enyl-1,2-dimethyl-3-[2-(oxolan-2-yl)ethyl]guanidine;hydroiodide
CID 109483488
1-Hept-6-enyl-1,2-dimethyl-3-[2-(oxolan-2-yl)ethyl]guanidine
CID 109483489
1-Hept-6-enyl-1,2-dimethyl-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 109483502

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-hept-6-enyl-1-methyl-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide?
The IUPAC name of 3-ethyl-1-hept-6-enyl-1-methyl-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide (CID 109483014) is 3-ethyl-1-hept-6-enyl-1-methyl-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide.
What is the SMILES notation for 3-ethyl-1-hept-6-enyl-1-methyl-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide?
The canonical SMILES for 3-ethyl-1-hept-6-enyl-1-methyl-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide is C=CCCCCCN(C)/C(=N/CCCOCC1CCCO1)NCC.I.
What is the InChIKey of 3-ethyl-1-hept-6-enyl-1-methyl-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide?
The InChIKey is ZPROVNXDRPWTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3O2.HI/c1-4-6-7-8-9-14-22(3)19(20-5-2)21-13-11-15-23-17-18-12-10-16-24-18;/h4,18H,1,5-17H2,2-3H3,(H,20,21);1H.
What are the key properties of 3-ethyl-1-hept-6-enyl-1-methyl-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide?
3-ethyl-1-hept-6-enyl-1-methyl-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide has a molecular weight of 467.44 g/mol, XLogP of 3.83, 13 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-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide is sourced from PubChem (CID 109483014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).