2-[2-(dimethylamino)-2-methylpropyl]-1-propan-2-ylguanidine;hydroiodide

C10H25IN4 — CID 110912360

IUPAC2-[2-(dimethylamino)-2-methylpropyl]-1-propan-2-ylguanidine;hydroiodide
SMILESCC(C)N/C(N)=N/CC(C)(C)N(C)C.I
InChIInChI=1S/C10H24N4.HI/c1-8(2)13-9(11)12-7-10(3,4)14(5)6;/h8H,7H2,1-6H3,(H3,11,12,13);1H
InChIKeyLAMCWJYUSMMQHM-UHFFFAOYSA-N
MW328.24 g/mol
LogP1.26
Rot. Bonds4

About 2-[2-(dimethylamino)-2-methylpropyl]-1-propan-2-ylguanidine;hydroiodide

2-[2-(dimethylamino)-2-methylpropyl]-1-propan-2-ylguanidine;hydroiodide (PubChem CID 110912360) has the molecular formula C10H25IN4 and a molecular weight of 328.24 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-2-methylpropyl]-1-propan-2-ylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(dimethylamino)-2-methylpropyl]-1-propan-2-ylguanidine;hydroiodide
PubChem CID110912360
Molecular FormulaC10H25IN4
Molecular Weight328.24 g/mol
Exact Mass328.11
IUPAC Name2-[2-(dimethylamino)-2-methylpropyl]-1-propan-2-ylguanidine;hydroiodide
SMILESCC(C)N/C(N)=N/CC(C)(C)N(C)C.I
InChIInChI=1S/C10H24N4.HI/c1-8(2)13-9(11)12-7-10(3,4)14(5)6;/h8H,7H2,1-6H3,(H3,11,12,13);1H
InChIKeyLAMCWJYUSMMQHM-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': '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 2-[2-(dimethylamino)-2-methylpropyl]-1-propan-2-ylguanidine;hydroiodide?
The IUPAC name of 2-[2-(dimethylamino)-2-methylpropyl]-1-propan-2-ylguanidine;hydroiodide (CID 110912360) is 2-[2-(dimethylamino)-2-methylpropyl]-1-propan-2-ylguanidine;hydroiodide.
What is the SMILES notation for 2-[2-(dimethylamino)-2-methylpropyl]-1-propan-2-ylguanidine;hydroiodide?
The canonical SMILES for 2-[2-(dimethylamino)-2-methylpropyl]-1-propan-2-ylguanidine;hydroiodide is CC(C)N/C(N)=N/CC(C)(C)N(C)C.I.
What is the InChIKey of 2-[2-(dimethylamino)-2-methylpropyl]-1-propan-2-ylguanidine;hydroiodide?
The InChIKey is LAMCWJYUSMMQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N4.HI/c1-8(2)13-9(11)12-7-10(3,4)14(5)6;/h8H,7H2,1-6H3,(H3,11,12,13);1H.
What are the key properties of 2-[2-(dimethylamino)-2-methylpropyl]-1-propan-2-ylguanidine;hydroiodide?
2-[2-(dimethylamino)-2-methylpropyl]-1-propan-2-ylguanidine;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 2-[2-(dimethylamino)-2-methylpropyl]-1-propan-2-ylguanidine;hydroiodide is sourced from PubChem (CID 110912360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).