3-[3-(dimethylamino)-2,2-dimethylpropyl]-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide

C17H37IN4 — CID 109483896

IUPAC3-[3-(dimethylamino)-2,2-dimethylpropyl]-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide
SMILESC=CCCCCCN(C)/C(=N\C)NCC(C)(C)CN(C)C.I
InChIInChI=1S/C17H36N4.HI/c1-8-9-10-11-12-13-21(7)16(18-4)19-14-17(2,3)15-20(5)6;/h8H,1,9-15H2,2-7H3,(H,18,19);1H
InChIKeySJDJHKUWCFBBSR-UHFFFAOYSA-N
MW424.42 g/mol
LogP3.45
Rot. Bonds10

About 3-[3-(dimethylamino)-2,2-dimethylpropyl]-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide

3-[3-(dimethylamino)-2,2-dimethylpropyl]-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide (PubChem CID 109483896) has the molecular formula C17H37IN4 and a molecular weight of 424.42 g/mol. Its IUPAC name is 3-[3-(dimethylamino)-2,2-dimethylpropyl]-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide.

Molecular Properties

Compound Name3-[3-(dimethylamino)-2,2-dimethylpropyl]-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide
PubChem CID109483896
Molecular FormulaC17H37IN4
Molecular Weight424.42 g/mol
Exact Mass424.21
IUPAC Name3-[3-(dimethylamino)-2,2-dimethylpropyl]-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide
SMILESC=CCCCCCN(C)/C(=N\C)NCC(C)(C)CN(C)C.I
InChIInChI=1S/C17H36N4.HI/c1-8-9-10-11-12-13-21(7)16(18-4)19-14-17(2,3)15-20(5)6;/h8H,1,9-15H2,2-7H3,(H,18,19);1H
InChIKeySJDJHKUWCFBBSR-UHFFFAOYSA-N
XLogP3.45
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.42
LogP ≤ 53.45
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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Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)-2,2-dimethylpropyl]-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide?
The IUPAC name of 3-[3-(dimethylamino)-2,2-dimethylpropyl]-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide (CID 109483896) is 3-[3-(dimethylamino)-2,2-dimethylpropyl]-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide.
What is the SMILES notation for 3-[3-(dimethylamino)-2,2-dimethylpropyl]-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide?
The canonical SMILES for 3-[3-(dimethylamino)-2,2-dimethylpropyl]-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide is C=CCCCCCN(C)/C(=N\C)NCC(C)(C)CN(C)C.I.
What is the InChIKey of 3-[3-(dimethylamino)-2,2-dimethylpropyl]-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide?
The InChIKey is SJDJHKUWCFBBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N4.HI/c1-8-9-10-11-12-13-21(7)16(18-4)19-14-17(2,3)15-20(5)6;/h8H,1,9-15H2,2-7H3,(H,18,19);1H.
What are the key properties of 3-[3-(dimethylamino)-2,2-dimethylpropyl]-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide?
3-[3-(dimethylamino)-2,2-dimethylpropyl]-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide has a molecular weight of 424.42 g/mol, XLogP of 3.45, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)-2,2-dimethylpropyl]-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide is sourced from PubChem (CID 109483896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).