1-(2-methylpropyl)-2-(pyridin-2-ylmethyl)guanidine;hydroiodide

C11H19IN4 — CID 110912092

IUPAC1-(2-methylpropyl)-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
SMILESCC(C)CN/C(N)=N/Cc1ccccn1.I
InChIInChI=1S/C11H18N4.HI/c1-9(2)7-14-11(12)15-8-10-5-3-4-6-13-10;/h3-6,9H,7-8H2,1-2H3,(H3,12,14,15);1H
InChIKeyCXSNSXUNCOFTDF-UHFFFAOYSA-N
MW334.21 g/mol
LogP1.76
Rot. Bonds4

About 1-(2-methylpropyl)-2-(pyridin-2-ylmethyl)guanidine;hydroiodide

1-(2-methylpropyl)-2-(pyridin-2-ylmethyl)guanidine;hydroiodide (PubChem CID 110912092) has the molecular formula C11H19IN4 and a molecular weight of 334.21 g/mol. Its IUPAC name is 1-(2-methylpropyl)-2-(pyridin-2-ylmethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-(2-methylpropyl)-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
PubChem CID110912092
Molecular FormulaC11H19IN4
Molecular Weight334.21 g/mol
Exact Mass334.07
IUPAC Name1-(2-methylpropyl)-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
SMILESCC(C)CN/C(N)=N/Cc1ccccn1.I
InChIInChI=1S/C11H18N4.HI/c1-9(2)7-14-11(12)15-8-10-5-3-4-6-13-10;/h3-6,9H,7-8H2,1-2H3,(H3,12,14,15);1H
InChIKeyCXSNSXUNCOFTDF-UHFFFAOYSA-N
XLogP1.76
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 51.76
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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Related Compounds

1-(2-methylpropyl)-2-(pyridin-2-ylmethyl)guanidine
CID 62362398
1-amino-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 86736541
1-butyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 111023230
1-butyl-2-(pyridin-2-ylmethyl)guanidine
CID 111023231
2-[(6-methoxy-2-pyridinyl)methyl]-1-(2-methylpropyl)guanidine;hydroiodide
CID 111087779
1-(2-methylpropyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 111038263
1-(2-methylpropyl)-2-(pyridin-4-ylmethyl)guanidine
CID 62362186
1-phenyl-2-(pyridin-2-ylmethyl)guanidine
CID 62072214
1-(2-methylpropyl)-2-(1,2-oxazol-3-ylmethyl)guanidine
CID 79492896
2-[(2-bromophenyl)methyl]-1-(2-methylpropyl)guanidine;hydroiodide
CID 110912324
N'-(pyridin-2-ylmethyl)pyridine-2-carboximidamide
CID 528154
1-(2-methylpropyl)-2-(pyridin-3-ylmethyl)guanidine
CID 62361961

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-2-(pyridin-2-ylmethyl)guanidine;hydroiodide?
The IUPAC name of 1-(2-methylpropyl)-2-(pyridin-2-ylmethyl)guanidine;hydroiodide (CID 110912092) is 1-(2-methylpropyl)-2-(pyridin-2-ylmethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-(2-methylpropyl)-2-(pyridin-2-ylmethyl)guanidine;hydroiodide?
The canonical SMILES for 1-(2-methylpropyl)-2-(pyridin-2-ylmethyl)guanidine;hydroiodide is CC(C)CN/C(N)=N/Cc1ccccn1.I.
What is the InChIKey of 1-(2-methylpropyl)-2-(pyridin-2-ylmethyl)guanidine;hydroiodide?
The InChIKey is CXSNSXUNCOFTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4.HI/c1-9(2)7-14-11(12)15-8-10-5-3-4-6-13-10;/h3-6,9H,7-8H2,1-2H3,(H3,12,14,15);1H.
What are the key properties of 1-(2-methylpropyl)-2-(pyridin-2-ylmethyl)guanidine;hydroiodide?
1-(2-methylpropyl)-2-(pyridin-2-ylmethyl)guanidine;hydroiodide has a molecular weight of 334.21 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-2-(pyridin-2-ylmethyl)guanidine;hydroiodide is sourced from PubChem (CID 110912092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).