2-[2-(dimethylamino)-2-methylpropyl]-3-ethyl-1-methyl-1-pent-4-enylguanidine;hydroiodide

C15H33IN4 — CID 109496032

IUPAC2-[2-(dimethylamino)-2-methylpropyl]-3-ethyl-1-methyl-1-pent-4-enylguanidine;hydroiodide
SMILESC=CCCCN(C)/C(=N/CC(C)(C)N(C)C)NCC.I
InChIInChI=1S/C15H32N4.HI/c1-8-10-11-12-19(7)14(16-9-2)17-13-15(3,4)18(5)6;/h8H,1,9-13H2,2-7H3,(H,16,17);1H
InChIKeyJEFFAEFWLMQRRG-UHFFFAOYSA-N
MW396.36 g/mol
LogP2.81
Rot. Bonds8

About 2-[2-(dimethylamino)-2-methylpropyl]-3-ethyl-1-methyl-1-pent-4-enylguanidine;hydroiodide

2-[2-(dimethylamino)-2-methylpropyl]-3-ethyl-1-methyl-1-pent-4-enylguanidine;hydroiodide (PubChem CID 109496032) has the molecular formula C15H33IN4 and a molecular weight of 396.36 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-2-methylpropyl]-3-ethyl-1-methyl-1-pent-4-enylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(dimethylamino)-2-methylpropyl]-3-ethyl-1-methyl-1-pent-4-enylguanidine;hydroiodide
PubChem CID109496032
Molecular FormulaC15H33IN4
Molecular Weight396.36 g/mol
Exact Mass396.17
IUPAC Name2-[2-(dimethylamino)-2-methylpropyl]-3-ethyl-1-methyl-1-pent-4-enylguanidine;hydroiodide
SMILESC=CCCCN(C)/C(=N/CC(C)(C)N(C)C)NCC.I
InChIInChI=1S/C15H32N4.HI/c1-8-10-11-12-19(7)14(16-9-2)17-13-15(3,4)18(5)6;/h8H,1,9-13H2,2-7H3,(H,16,17);1H
InChIKeyJEFFAEFWLMQRRG-UHFFFAOYSA-N
XLogP2.81
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.36
LogP ≤ 52.81
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-[2-(dimethylamino)-2-methylpropyl]-3-ethyl-1-methyl-1-pent-4-enylguanidine;hydroiodide?
The IUPAC name of 2-[2-(dimethylamino)-2-methylpropyl]-3-ethyl-1-methyl-1-pent-4-enylguanidine;hydroiodide (CID 109496032) is 2-[2-(dimethylamino)-2-methylpropyl]-3-ethyl-1-methyl-1-pent-4-enylguanidine;hydroiodide.
What is the SMILES notation for 2-[2-(dimethylamino)-2-methylpropyl]-3-ethyl-1-methyl-1-pent-4-enylguanidine;hydroiodide?
The canonical SMILES for 2-[2-(dimethylamino)-2-methylpropyl]-3-ethyl-1-methyl-1-pent-4-enylguanidine;hydroiodide is C=CCCCN(C)/C(=N/CC(C)(C)N(C)C)NCC.I.
What is the InChIKey of 2-[2-(dimethylamino)-2-methylpropyl]-3-ethyl-1-methyl-1-pent-4-enylguanidine;hydroiodide?
The InChIKey is JEFFAEFWLMQRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4.HI/c1-8-10-11-12-19(7)14(16-9-2)17-13-15(3,4)18(5)6;/h8H,1,9-13H2,2-7H3,(H,16,17);1H.
What are the key properties of 2-[2-(dimethylamino)-2-methylpropyl]-3-ethyl-1-methyl-1-pent-4-enylguanidine;hydroiodide?
2-[2-(dimethylamino)-2-methylpropyl]-3-ethyl-1-methyl-1-pent-4-enylguanidine;hydroiodide has a molecular weight of 396.36 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)-2-methylpropyl]-3-ethyl-1-methyl-1-pent-4-enylguanidine;hydroiodide is sourced from PubChem (CID 109496032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).