1-(3-imidazol-1-ylpropyl)-2-(2-methylpropyl)guanidine;hydroiodide

C11H22IN5 — CID 110912123

IUPAC1-(3-imidazol-1-ylpropyl)-2-(2-methylpropyl)guanidine;hydroiodide
SMILESCC(C)C/N=C(\N)NCCCn1ccnc1.I
InChIInChI=1S/C11H21N5.HI/c1-10(2)8-15-11(12)14-4-3-6-16-7-5-13-9-16;/h5,7,9-10H,3-4,6,8H2,1-2H3,(H3,12,14,15);1H
InChIKeyRJXGEGRSJUWNKF-UHFFFAOYSA-N
MW351.24 g/mol
LogP1.45
Rot. Bonds6

About 1-(3-imidazol-1-ylpropyl)-2-(2-methylpropyl)guanidine;hydroiodide

1-(3-imidazol-1-ylpropyl)-2-(2-methylpropyl)guanidine;hydroiodide (PubChem CID 110912123) has the molecular formula C11H22IN5 and a molecular weight of 351.24 g/mol. Its IUPAC name is 1-(3-imidazol-1-ylpropyl)-2-(2-methylpropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-(3-imidazol-1-ylpropyl)-2-(2-methylpropyl)guanidine;hydroiodide
PubChem CID110912123
Molecular FormulaC11H22IN5
Molecular Weight351.24 g/mol
Exact Mass351.09
IUPAC Name1-(3-imidazol-1-ylpropyl)-2-(2-methylpropyl)guanidine;hydroiodide
SMILESCC(C)C/N=C(\N)NCCCn1ccnc1.I
InChIInChI=1S/C11H21N5.HI/c1-10(2)8-15-11(12)14-4-3-6-16-7-5-13-9-16;/h5,7,9-10H,3-4,6,8H2,1-2H3,(H3,12,14,15);1H
InChIKeyRJXGEGRSJUWNKF-UHFFFAOYSA-N
XLogP1.45
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-imidazol-1-ylpropyl)-1-(2-methoxyethyl)guanidine
CID 110913907
3-imidazol-1-ylpropylurea
CID 22179621
1-(3-imidazol-1-ylpropyl)-2-methyl-3-(5-methylhexan-2-yl)guanidine
CID 111203438
1-(3-imidazol-1-ylpropyl)-2-(oxolan-2-ylmethyl)guanidine
CID 110913905
N-(5-imidazol-1-ylpentyl)-3-methylbutanamide
CID 110442138
2-bromo-N-(4-imidazol-1-ylbutyl)propanamide
CID 107905070
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-imidazol-1-ylpropyl)guanidine;hydroiodide
CID 111023429
(2S)-2-amino-N-(3-imidazol-1-ylpropyl)-3-methylpentanethioamide
CID 87554180
1-butyl-2-[[4-(imidazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111064058
1-ethyl-3-(3-imidazol-1-ylpropyl)-2-propylguanidine
CID 111228481
1-[3-(4-methylpiperidin-1-yl)propyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111034836
3-amino-3-hydroxyimino-N-(3-imidazol-1-ylpropyl)-2,2-dimethylpropanamide
CID 76920009

Frequently Asked Questions

What is the IUPAC name of 1-(3-imidazol-1-ylpropyl)-2-(2-methylpropyl)guanidine;hydroiodide?
The IUPAC name of 1-(3-imidazol-1-ylpropyl)-2-(2-methylpropyl)guanidine;hydroiodide (CID 110912123) is 1-(3-imidazol-1-ylpropyl)-2-(2-methylpropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-(3-imidazol-1-ylpropyl)-2-(2-methylpropyl)guanidine;hydroiodide?
The canonical SMILES for 1-(3-imidazol-1-ylpropyl)-2-(2-methylpropyl)guanidine;hydroiodide is CC(C)C/N=C(\N)NCCCn1ccnc1.I.
What is the InChIKey of 1-(3-imidazol-1-ylpropyl)-2-(2-methylpropyl)guanidine;hydroiodide?
The InChIKey is RJXGEGRSJUWNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5.HI/c1-10(2)8-15-11(12)14-4-3-6-16-7-5-13-9-16;/h5,7,9-10H,3-4,6,8H2,1-2H3,(H3,12,14,15);1H.
What are the key properties of 1-(3-imidazol-1-ylpropyl)-2-(2-methylpropyl)guanidine;hydroiodide?
1-(3-imidazol-1-ylpropyl)-2-(2-methylpropyl)guanidine;hydroiodide has a molecular weight of 351.24 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-imidazol-1-ylpropyl)-2-(2-methylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 110912123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).