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

C15H31N3O — CID 109483077

IUPAC1-hept-6-enyl-3-(2-methoxy-2-methylpropyl)-1,2-dimethylguanidine
SMILESC=CCCCCCN(C)/C(=N\C)NCC(C)(C)OC
InChIInChI=1S/C15H31N3O/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)
InChIKeySPMZROOIDBPTSI-UHFFFAOYSA-N
MW269.43 g/mol
LogP2.66
Rot. Bonds9

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

1-hept-6-enyl-3-(2-methoxy-2-methylpropyl)-1,2-dimethylguanidine (PubChem CID 109483077) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 1-hept-6-enyl-3-(2-methoxy-2-methylpropyl)-1,2-dimethylguanidine.

Molecular Properties

Compound Name1-hept-6-enyl-3-(2-methoxy-2-methylpropyl)-1,2-dimethylguanidine
PubChem CID109483077
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name1-hept-6-enyl-3-(2-methoxy-2-methylpropyl)-1,2-dimethylguanidine
SMILESC=CCCCCCN(C)/C(=N\C)NCC(C)(C)OC
InChIInChI=1S/C15H31N3O/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)
InChIKeySPMZROOIDBPTSI-UHFFFAOYSA-N
XLogP2.66
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 52.66
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
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
CID 109483153
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
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
3-Ethyl-1-hept-6-enyl-2-(2-methoxyethyl)-1-methylguanidine;hydroiodide
CID 109483884

Frequently Asked Questions

What is the IUPAC name of 1-hept-6-enyl-3-(2-methoxy-2-methylpropyl)-1,2-dimethylguanidine?
The IUPAC name of 1-hept-6-enyl-3-(2-methoxy-2-methylpropyl)-1,2-dimethylguanidine (CID 109483077) is 1-hept-6-enyl-3-(2-methoxy-2-methylpropyl)-1,2-dimethylguanidine.
What is the SMILES notation for 1-hept-6-enyl-3-(2-methoxy-2-methylpropyl)-1,2-dimethylguanidine?
The canonical SMILES for 1-hept-6-enyl-3-(2-methoxy-2-methylpropyl)-1,2-dimethylguanidine is C=CCCCCCN(C)/C(=N\C)NCC(C)(C)OC.
What is the InChIKey of 1-hept-6-enyl-3-(2-methoxy-2-methylpropyl)-1,2-dimethylguanidine?
The InChIKey is SPMZROOIDBPTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/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).
What are the key properties of 1-hept-6-enyl-3-(2-methoxy-2-methylpropyl)-1,2-dimethylguanidine?
1-hept-6-enyl-3-(2-methoxy-2-methylpropyl)-1,2-dimethylguanidine has a molecular weight of 269.43 g/mol, XLogP of 2.66, 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 is sourced from PubChem (CID 109483077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).