1-hept-6-enyl-3-(2-methoxy-2-methylpropyl)-1,2-dimethylguanidine;hydroiodide

C15H32IN3O — CID 109483076

IUPAC1-hept-6-enyl-3-(2-methoxy-2-methylpropyl)-1,2-dimethylguanidine;hydroiodide
SMILESC=CCCCCCN(C)/C(=N\C)NCC(C)(C)OC.I
InChIInChI=1S/C15H31N3O.HI/c1-7-8-9-10-11-12-18(5)14(16-4)17-13-15(2,3)19-6;/h7H,1,8-13H2,2-6H3,(H,16,17);1H
InChIKeyPNACLFUQCJZKOL-UHFFFAOYSA-N
MW397.35 g/mol
LogP3.28
Rot. Bonds9

About 1-hept-6-enyl-3-(2-methoxy-2-methylpropyl)-1,2-dimethylguanidine;hydroiodide

1-hept-6-enyl-3-(2-methoxy-2-methylpropyl)-1,2-dimethylguanidine;hydroiodide (PubChem CID 109483076) has the molecular formula C15H32IN3O and a molecular weight of 397.35 g/mol. Its IUPAC name is 1-hept-6-enyl-3-(2-methoxy-2-methylpropyl)-1,2-dimethylguanidine;hydroiodide.

Molecular Properties

Compound Name1-hept-6-enyl-3-(2-methoxy-2-methylpropyl)-1,2-dimethylguanidine;hydroiodide
PubChem CID109483076
Molecular FormulaC15H32IN3O
Molecular Weight397.35 g/mol
Exact Mass397.16
IUPAC Name1-hept-6-enyl-3-(2-methoxy-2-methylpropyl)-1,2-dimethylguanidine;hydroiodide
SMILESC=CCCCCCN(C)/C(=N\C)NCC(C)(C)OC.I
InChIInChI=1S/C15H31N3O.HI/c1-7-8-9-10-11-12-18(5)14(16-4)17-13-15(2,3)19-6;/h7H,1,8-13H2,2-6H3,(H,16,17);1H
InChIKeyPNACLFUQCJZKOL-UHFFFAOYSA-N
XLogP3.28
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.35
LogP ≤ 53.28
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

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
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-(2-methoxy-2-methylpropyl)-1-methylguanidine
CID 109483107
1-Hept-6-enyl-3-[2-(2-methoxyethoxy)ethyl]-1,2-dimethylguanidine;hydroiodide
CID 109483152
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
1-Hept-6-enyl-1,2-dimethyl-3-[2-(2-methylpropoxy)ethyl]guanidine;hydroiodide
CID 109483526
1-Hept-6-enyl-1,2-dimethyl-3-[2-(2-methylpropoxy)ethyl]guanidine
CID 109483527

Frequently Asked Questions

What is the IUPAC name of 1-hept-6-enyl-3-(2-methoxy-2-methylpropyl)-1,2-dimethylguanidine;hydroiodide?
The IUPAC name of 1-hept-6-enyl-3-(2-methoxy-2-methylpropyl)-1,2-dimethylguanidine;hydroiodide (CID 109483076) is 1-hept-6-enyl-3-(2-methoxy-2-methylpropyl)-1,2-dimethylguanidine;hydroiodide.
What is the SMILES notation for 1-hept-6-enyl-3-(2-methoxy-2-methylpropyl)-1,2-dimethylguanidine;hydroiodide?
The canonical SMILES for 1-hept-6-enyl-3-(2-methoxy-2-methylpropyl)-1,2-dimethylguanidine;hydroiodide is C=CCCCCCN(C)/C(=N\C)NCC(C)(C)OC.I.
What is the InChIKey of 1-hept-6-enyl-3-(2-methoxy-2-methylpropyl)-1,2-dimethylguanidine;hydroiodide?
The InChIKey is PNACLFUQCJZKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O.HI/c1-7-8-9-10-11-12-18(5)14(16-4)17-13-15(2,3)19-6;/h7H,1,8-13H2,2-6H3,(H,16,17);1H.
What are the key properties of 1-hept-6-enyl-3-(2-methoxy-2-methylpropyl)-1,2-dimethylguanidine;hydroiodide?
1-hept-6-enyl-3-(2-methoxy-2-methylpropyl)-1,2-dimethylguanidine;hydroiodide has a molecular weight of 397.35 g/mol, XLogP of 3.28, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hept-6-enyl-3-(2-methoxy-2-methylpropyl)-1,2-dimethylguanidine;hydroiodide is sourced from PubChem (CID 109483076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).