2-[2-[cyclopropyl(methyl)amino]propyl]-1-propan-2-ylguanidine;hydroiodide

C11H25IN4 — CID 111099070

IUPAC2-[2-[cyclopropyl(methyl)amino]propyl]-1-propan-2-ylguanidine;hydroiodide
SMILESCC(C)N/C(N)=N/CC(C)N(C)C1CC1.I
InChIInChI=1S/C11H24N4.HI/c1-8(2)14-11(12)13-7-9(3)15(4)10-5-6-10;/h8-10H,5-7H2,1-4H3,(H3,12,13,14);1H
InChIKeyINXYRTZNDFOXDY-UHFFFAOYSA-N
MW340.25 g/mol
LogP1.40
Rot. Bonds5

About 2-[2-[cyclopropyl(methyl)amino]propyl]-1-propan-2-ylguanidine;hydroiodide

2-[2-[cyclopropyl(methyl)amino]propyl]-1-propan-2-ylguanidine;hydroiodide (PubChem CID 111099070) has the molecular formula C11H25IN4 and a molecular weight of 340.25 g/mol. Its IUPAC name is 2-[2-[cyclopropyl(methyl)amino]propyl]-1-propan-2-ylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-[cyclopropyl(methyl)amino]propyl]-1-propan-2-ylguanidine;hydroiodide
PubChem CID111099070
Molecular FormulaC11H25IN4
Molecular Weight340.25 g/mol
Exact Mass340.11
IUPAC Name2-[2-[cyclopropyl(methyl)amino]propyl]-1-propan-2-ylguanidine;hydroiodide
SMILESCC(C)N/C(N)=N/CC(C)N(C)C1CC1.I
InChIInChI=1S/C11H24N4.HI/c1-8(2)14-11(12)13-7-9(3)15(4)10-5-6-10;/h8-10H,5-7H2,1-4H3,(H3,12,13,14);1H
InChIKeyINXYRTZNDFOXDY-UHFFFAOYSA-N
XLogP1.40
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.25
LogP ≤ 51.40
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-[cyclopropyl(methyl)amino]propyl]-1-propan-2-ylguanidine;hydroiodide?
The IUPAC name of 2-[2-[cyclopropyl(methyl)amino]propyl]-1-propan-2-ylguanidine;hydroiodide (CID 111099070) is 2-[2-[cyclopropyl(methyl)amino]propyl]-1-propan-2-ylguanidine;hydroiodide.
What is the SMILES notation for 2-[2-[cyclopropyl(methyl)amino]propyl]-1-propan-2-ylguanidine;hydroiodide?
The canonical SMILES for 2-[2-[cyclopropyl(methyl)amino]propyl]-1-propan-2-ylguanidine;hydroiodide is CC(C)N/C(N)=N/CC(C)N(C)C1CC1.I.
What is the InChIKey of 2-[2-[cyclopropyl(methyl)amino]propyl]-1-propan-2-ylguanidine;hydroiodide?
The InChIKey is INXYRTZNDFOXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4.HI/c1-8(2)14-11(12)13-7-9(3)15(4)10-5-6-10;/h8-10H,5-7H2,1-4H3,(H3,12,13,14);1H.
What are the key properties of 2-[2-[cyclopropyl(methyl)amino]propyl]-1-propan-2-ylguanidine;hydroiodide?
2-[2-[cyclopropyl(methyl)amino]propyl]-1-propan-2-ylguanidine;hydroiodide has a molecular weight of 340.25 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclopropyl(methyl)amino]propyl]-1-propan-2-ylguanidine;hydroiodide is sourced from PubChem (CID 111099070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).