2-(3-cyclopropylpropyl)-1-(3-methylbutyl)guanidine;hydroiodide

C12H26IN3 — CID 111816691

IUPAC2-(3-cyclopropylpropyl)-1-(3-methylbutyl)guanidine;hydroiodide
SMILESCC(C)CCN/C(N)=N/CCCC1CC1.I
InChIInChI=1S/C12H25N3.HI/c1-10(2)7-9-15-12(13)14-8-3-4-11-5-6-11;/h10-11H,3-9H2,1-2H3,(H3,13,14,15);1H
InChIKeyWJVGZHPYKJEROW-UHFFFAOYSA-N
MW339.27 g/mol
LogP2.74
Rot. Bonds7

About 2-(3-cyclopropylpropyl)-1-(3-methylbutyl)guanidine;hydroiodide

2-(3-cyclopropylpropyl)-1-(3-methylbutyl)guanidine;hydroiodide (PubChem CID 111816691) has the molecular formula C12H26IN3 and a molecular weight of 339.27 g/mol. Its IUPAC name is 2-(3-cyclopropylpropyl)-1-(3-methylbutyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-(3-cyclopropylpropyl)-1-(3-methylbutyl)guanidine;hydroiodide
PubChem CID111816691
Molecular FormulaC12H26IN3
Molecular Weight339.27 g/mol
Exact Mass339.12
IUPAC Name2-(3-cyclopropylpropyl)-1-(3-methylbutyl)guanidine;hydroiodide
SMILESCC(C)CCN/C(N)=N/CCCC1CC1.I
InChIInChI=1S/C12H25N3.HI/c1-10(2)7-9-15-12(13)14-8-3-4-11-5-6-11;/h10-11H,3-9H2,1-2H3,(H3,13,14,15);1H
InChIKeyWJVGZHPYKJEROW-UHFFFAOYSA-N
XLogP2.74
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.27
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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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Related Compounds

2-(3-cyclopentylpropyl)-1-(3-methylbutyl)guanidine
CID 111062741
2-(4,4-dimethylpentyl)-1-(3-methylbutyl)guanidine;hydroiodide
CID 111818207
N-[3-[[amino-(3-methylbutylamino)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide
CID 111752297
2-[3-(4-hydroxypiperidin-1-yl)propyl]-1-(3-methylbutyl)guanidine;hydroiodide
CID 111057067
1-(3-cyclopropylpropyl)-2-propylguanidine
CID 115679595
1-(3-methylbutyl)-2-[4-(4-methylpiperidin-1-yl)butyl]guanidine
CID 111059649
1-(3-methylbutyl)-2-[2-(oxan-2-yl)ethyl]guanidine;hydroiodide
CID 110018751
2-[7-(dimethylamino)heptyl]-1-(3-methylbutyl)guanidine
CID 111084873
2-(5-methoxypentyl)-1-(3-methylbutyl)guanidine
CID 111087551
1-[2-(cyclopropylmethoxy)ethyl]-2-(3-methylbutyl)guanidine
CID 111801937
2-[3-(dipropylamino)propyl]-1-(3-methylbutyl)guanidine
CID 111077417
ethyl 4-[[amino-(3-methylbutylamino)methylidene]amino]butanoate;hydroiodide
CID 111025588

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropylpropyl)-1-(3-methylbutyl)guanidine;hydroiodide?
The IUPAC name of 2-(3-cyclopropylpropyl)-1-(3-methylbutyl)guanidine;hydroiodide (CID 111816691) is 2-(3-cyclopropylpropyl)-1-(3-methylbutyl)guanidine;hydroiodide.
What is the SMILES notation for 2-(3-cyclopropylpropyl)-1-(3-methylbutyl)guanidine;hydroiodide?
The canonical SMILES for 2-(3-cyclopropylpropyl)-1-(3-methylbutyl)guanidine;hydroiodide is CC(C)CCN/C(N)=N/CCCC1CC1.I.
What is the InChIKey of 2-(3-cyclopropylpropyl)-1-(3-methylbutyl)guanidine;hydroiodide?
The InChIKey is WJVGZHPYKJEROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3.HI/c1-10(2)7-9-15-12(13)14-8-3-4-11-5-6-11;/h10-11H,3-9H2,1-2H3,(H3,13,14,15);1H.
What are the key properties of 2-(3-cyclopropylpropyl)-1-(3-methylbutyl)guanidine;hydroiodide?
2-(3-cyclopropylpropyl)-1-(3-methylbutyl)guanidine;hydroiodide has a molecular weight of 339.27 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropylpropyl)-1-(3-methylbutyl)guanidine;hydroiodide is sourced from PubChem (CID 111816691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).