3-ethyl-1-hept-6-enyl-2-(2-methoxy-2-methylpropyl)-1-methylguanidine

C16H33N3O — CID 109483107

IUPAC3-ethyl-1-hept-6-enyl-2-(2-methoxy-2-methylpropyl)-1-methylguanidine
SMILESC=CCCCCCN(C)/C(=N\CC(C)(C)OC)NCC
InChIInChI=1S/C16H33N3O/c1-7-9-10-11-12-13-19(5)15(17-8-2)18-14-16(3,4)20-6/h7H,1,8-14H2,2-6H3,(H,17,18)
InChIKeyMDIMEJGWURETKS-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.06
Rot. Bonds10

About 3-ethyl-1-hept-6-enyl-2-(2-methoxy-2-methylpropyl)-1-methylguanidine

3-ethyl-1-hept-6-enyl-2-(2-methoxy-2-methylpropyl)-1-methylguanidine (PubChem CID 109483107) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 3-ethyl-1-hept-6-enyl-2-(2-methoxy-2-methylpropyl)-1-methylguanidine.

Molecular Properties

Compound Name3-ethyl-1-hept-6-enyl-2-(2-methoxy-2-methylpropyl)-1-methylguanidine
PubChem CID109483107
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name3-ethyl-1-hept-6-enyl-2-(2-methoxy-2-methylpropyl)-1-methylguanidine
SMILESC=CCCCCCN(C)/C(=N\CC(C)(C)OC)NCC
InChIInChI=1S/C16H33N3O/c1-7-9-10-11-12-13-19(5)15(17-8-2)18-14-16(3,4)20-6/h7H,1,8-14H2,2-6H3,(H,17,18)
InChIKeyMDIMEJGWURETKS-UHFFFAOYSA-N
XLogP3.06
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.06
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(2-Ethoxyethyl)-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide
CID 109483046
2-(2-Ethoxyethyl)-3-ethyl-1-hept-6-enyl-1-methylguanidine
CID 109483047
1-Hept-6-enyl-3-(2-methoxy-2-methylpropyl)-1,2-dimethylguanidine;hydroiodide
CID 109483076
1-Hept-6-enyl-3-(2-methoxy-2-methylpropyl)-1,2-dimethylguanidine
CID 109483077
3-Ethyl-1-hept-6-enyl-2-(2-methoxy-2-methylpropyl)-1-methylguanidine;hydroiodide
CID 109483106
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
1-Hept-6-enyl-3-(2-methoxyethyl)-1,2-dimethylguanidine;hydroiodide
CID 109483196
1-Hept-6-enyl-3-(2-methoxyethyl)-1,2-dimethylguanidine
CID 109483197
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

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-hept-6-enyl-2-(2-methoxy-2-methylpropyl)-1-methylguanidine?
The IUPAC name of 3-ethyl-1-hept-6-enyl-2-(2-methoxy-2-methylpropyl)-1-methylguanidine (CID 109483107) is 3-ethyl-1-hept-6-enyl-2-(2-methoxy-2-methylpropyl)-1-methylguanidine.
What is the SMILES notation for 3-ethyl-1-hept-6-enyl-2-(2-methoxy-2-methylpropyl)-1-methylguanidine?
The canonical SMILES for 3-ethyl-1-hept-6-enyl-2-(2-methoxy-2-methylpropyl)-1-methylguanidine is C=CCCCCCN(C)/C(=N\CC(C)(C)OC)NCC.
What is the InChIKey of 3-ethyl-1-hept-6-enyl-2-(2-methoxy-2-methylpropyl)-1-methylguanidine?
The InChIKey is MDIMEJGWURETKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-7-9-10-11-12-13-19(5)15(17-8-2)18-14-16(3,4)20-6/h7H,1,8-14H2,2-6H3,(H,17,18).
What are the key properties of 3-ethyl-1-hept-6-enyl-2-(2-methoxy-2-methylpropyl)-1-methylguanidine?
3-ethyl-1-hept-6-enyl-2-(2-methoxy-2-methylpropyl)-1-methylguanidine has a molecular weight of 283.46 g/mol, XLogP of 3.06, 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-methoxy-2-methylpropyl)-1-methylguanidine is sourced from PubChem (CID 109483107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).