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

C17H34IN3O — CID 109483284

IUPAC3-ethyl-1-hept-6-enyl-1-methyl-2-[2-(oxolan-2-yl)ethyl]guanidine;hydroiodide
SMILESC=CCCCCCN(C)/C(=N/CCC1CCCO1)NCC.I
InChIInChI=1S/C17H33N3O.HI/c1-4-6-7-8-9-14-20(3)17(18-5-2)19-13-12-16-11-10-15-21-16;/h4,16H,1,5-15H2,2-3H3,(H,18,19);1H
InChIKeyHZQQCFCKWNFZBY-UHFFFAOYSA-N
MW423.38 g/mol
LogP3.82
Rot. Bonds10

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

3-ethyl-1-hept-6-enyl-1-methyl-2-[2-(oxolan-2-yl)ethyl]guanidine;hydroiodide (PubChem CID 109483284) has the molecular formula C17H34IN3O and a molecular weight of 423.38 g/mol. Its IUPAC name is 3-ethyl-1-hept-6-enyl-1-methyl-2-[2-(oxolan-2-yl)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name3-ethyl-1-hept-6-enyl-1-methyl-2-[2-(oxolan-2-yl)ethyl]guanidine;hydroiodide
PubChem CID109483284
Molecular FormulaC17H34IN3O
Molecular Weight423.38 g/mol
Exact Mass423.17
IUPAC Name3-ethyl-1-hept-6-enyl-1-methyl-2-[2-(oxolan-2-yl)ethyl]guanidine;hydroiodide
SMILESC=CCCCCCN(C)/C(=N/CCC1CCCO1)NCC.I
InChIInChI=1S/C17H33N3O.HI/c1-4-6-7-8-9-14-20(3)17(18-5-2)19-13-12-16-11-10-15-21-16;/h4,16H,1,5-15H2,2-3H3,(H,18,19);1H
InChIKeyHZQQCFCKWNFZBY-UHFFFAOYSA-N
XLogP3.82
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.38
LogP ≤ 53.82
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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Related Compounds

3-Ethyl-1-hept-6-enyl-1-methyl-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 109483014
3-Ethyl-1-hept-6-enyl-1-methyl-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine
CID 109483015
3-Ethyl-1-hept-6-enyl-2-(5-methoxypentyl)-1-methylguanidine;hydroiodide
CID 109483164
3-Ethyl-1-hept-6-enyl-2-(5-methoxypentyl)-1-methylguanidine
CID 109483165
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-[3-(Cyclopropylmethoxy)propyl]-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide
CID 109483256
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-[3-(oxolan-3-ylmethoxy)propyl]guanidine;hydroiodide
CID 109483356
3-[4-(Dimethylamino)-2-ethoxybutyl]-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide
CID 109483384
3-[4-(Dimethylamino)-2-ethoxybutyl]-1-hept-6-enyl-1,2-dimethylguanidine
CID 109483385
3-(3-Ethoxypropyl)-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide
CID 109483464

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-hept-6-enyl-1-methyl-2-[2-(oxolan-2-yl)ethyl]guanidine;hydroiodide?
The IUPAC name of 3-ethyl-1-hept-6-enyl-1-methyl-2-[2-(oxolan-2-yl)ethyl]guanidine;hydroiodide (CID 109483284) is 3-ethyl-1-hept-6-enyl-1-methyl-2-[2-(oxolan-2-yl)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 3-ethyl-1-hept-6-enyl-1-methyl-2-[2-(oxolan-2-yl)ethyl]guanidine;hydroiodide?
The canonical SMILES for 3-ethyl-1-hept-6-enyl-1-methyl-2-[2-(oxolan-2-yl)ethyl]guanidine;hydroiodide is C=CCCCCCN(C)/C(=N/CCC1CCCO1)NCC.I.
What is the InChIKey of 3-ethyl-1-hept-6-enyl-1-methyl-2-[2-(oxolan-2-yl)ethyl]guanidine;hydroiodide?
The InChIKey is HZQQCFCKWNFZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O.HI/c1-4-6-7-8-9-14-20(3)17(18-5-2)19-13-12-16-11-10-15-21-16;/h4,16H,1,5-15H2,2-3H3,(H,18,19);1H.
What are the key properties of 3-ethyl-1-hept-6-enyl-1-methyl-2-[2-(oxolan-2-yl)ethyl]guanidine;hydroiodide?
3-ethyl-1-hept-6-enyl-1-methyl-2-[2-(oxolan-2-yl)ethyl]guanidine;hydroiodide has a molecular weight of 423.38 g/mol, XLogP of 3.82, 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-1-methyl-2-[2-(oxolan-2-yl)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 109483284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).