1-tert-butyl-2-[3-(dimethylamino)propyl]guanidine;hydroiodide

C10H25IN4 — CID 110912093

IUPAC1-tert-butyl-2-[3-(dimethylamino)propyl]guanidine;hydroiodide
SMILESCN(C)CCC/N=C(\N)NC(C)(C)C.I
InChIInChI=1S/C10H24N4.HI/c1-10(2,3)13-9(11)12-7-6-8-14(4)5;/h6-8H2,1-5H3,(H3,11,12,13);1H
InChIKeyOEIVHUBGUBHPMQ-UHFFFAOYSA-N
MW328.24 g/mol
LogP1.26
Rot. Bonds4

About 1-tert-butyl-2-[3-(dimethylamino)propyl]guanidine;hydroiodide

1-tert-butyl-2-[3-(dimethylamino)propyl]guanidine;hydroiodide (PubChem CID 110912093) has the molecular formula C10H25IN4 and a molecular weight of 328.24 g/mol. Its IUPAC name is 1-tert-butyl-2-[3-(dimethylamino)propyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-tert-butyl-2-[3-(dimethylamino)propyl]guanidine;hydroiodide
PubChem CID110912093
Molecular FormulaC10H25IN4
Molecular Weight328.24 g/mol
Exact Mass328.11
IUPAC Name1-tert-butyl-2-[3-(dimethylamino)propyl]guanidine;hydroiodide
SMILESCN(C)CCC/N=C(\N)NC(C)(C)C.I
InChIInChI=1S/C10H24N4.HI/c1-10(2,3)13-9(11)12-7-6-8-14(4)5;/h6-8H2,1-5H3,(H3,11,12,13);1H
InChIKeyOEIVHUBGUBHPMQ-UHFFFAOYSA-N
XLogP1.26
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 51.26
H-Bond Donors ≤ 52
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-[3-(dimethylamino)propyl]guanidine;hydroiodide?
The IUPAC name of 1-tert-butyl-2-[3-(dimethylamino)propyl]guanidine;hydroiodide (CID 110912093) is 1-tert-butyl-2-[3-(dimethylamino)propyl]guanidine;hydroiodide.
What is the SMILES notation for 1-tert-butyl-2-[3-(dimethylamino)propyl]guanidine;hydroiodide?
The canonical SMILES for 1-tert-butyl-2-[3-(dimethylamino)propyl]guanidine;hydroiodide is CN(C)CCC/N=C(\N)NC(C)(C)C.I.
What is the InChIKey of 1-tert-butyl-2-[3-(dimethylamino)propyl]guanidine;hydroiodide?
The InChIKey is OEIVHUBGUBHPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N4.HI/c1-10(2,3)13-9(11)12-7-6-8-14(4)5;/h6-8H2,1-5H3,(H3,11,12,13);1H.
What are the key properties of 1-tert-butyl-2-[3-(dimethylamino)propyl]guanidine;hydroiodide?
1-tert-butyl-2-[3-(dimethylamino)propyl]guanidine;hydroiodide has a molecular weight of 328.24 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-[3-(dimethylamino)propyl]guanidine;hydroiodide is sourced from PubChem (CID 110912093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).