2-[3-(dimethylamino)propyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide

C16H35IN4 — CID 109484290

IUPAC2-[3-(dimethylamino)propyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide
SMILESC=CCCCCCN(C)/C(=N\CCCN(C)C)NCC.I
InChIInChI=1S/C16H34N4.HI/c1-6-8-9-10-11-15-20(5)16(17-7-2)18-13-12-14-19(3)4;/h6H,1,7-15H2,2-5H3,(H,17,18);1H
InChIKeyUJBDWOMVYOHELL-UHFFFAOYSA-N
MW410.39 g/mol
LogP3.20
Rot. Bonds11

About 2-[3-(dimethylamino)propyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide

2-[3-(dimethylamino)propyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide (PubChem CID 109484290) has the molecular formula C16H35IN4 and a molecular weight of 410.39 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[3-(dimethylamino)propyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide
PubChem CID109484290
Molecular FormulaC16H35IN4
Molecular Weight410.39 g/mol
Exact Mass410.19
IUPAC Name2-[3-(dimethylamino)propyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide
SMILESC=CCCCCCN(C)/C(=N\CCCN(C)C)NCC.I
InChIInChI=1S/C16H34N4.HI/c1-6-8-9-10-11-15-20(5)16(17-7-2)18-13-12-14-19(3)4;/h6H,1,7-15H2,2-5H3,(H,17,18);1H
InChIKeyUJBDWOMVYOHELL-UHFFFAOYSA-N
XLogP3.20
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.39
LogP ≤ 53.20
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 2-[3-(dimethylamino)propyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide?
The IUPAC name of 2-[3-(dimethylamino)propyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide (CID 109484290) is 2-[3-(dimethylamino)propyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide.
What is the SMILES notation for 2-[3-(dimethylamino)propyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide?
The canonical SMILES for 2-[3-(dimethylamino)propyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide is C=CCCCCCN(C)/C(=N\CCCN(C)C)NCC.I.
What is the InChIKey of 2-[3-(dimethylamino)propyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide?
The InChIKey is UJBDWOMVYOHELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4.HI/c1-6-8-9-10-11-15-20(5)16(17-7-2)18-13-12-14-19(3)4;/h6H,1,7-15H2,2-5H3,(H,17,18);1H.
What are the key properties of 2-[3-(dimethylamino)propyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide?
2-[3-(dimethylamino)propyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide has a molecular weight of 410.39 g/mol, XLogP of 3.20, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide is sourced from PubChem (CID 109484290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).