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

C11H19IN4 — CID 111023230

IUPAC1-butyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
SMILESCCCCN/C(N)=N/Cc1ccccn1.I
InChIInChI=1S/C11H18N4.HI/c1-2-3-7-14-11(12)15-9-10-6-4-5-8-13-10;/h4-6,8H,2-3,7,9H2,1H3,(H3,12,14,15);1H
InChIKeyYNLMRJKWVQVOMZ-UHFFFAOYSA-N
MW334.21 g/mol
LogP1.90
Rot. Bonds5

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

1-butyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide (PubChem CID 111023230) has the molecular formula C11H19IN4 and a molecular weight of 334.21 g/mol. Its IUPAC name is 1-butyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-butyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
PubChem CID111023230
Molecular FormulaC11H19IN4
Molecular Weight334.21 g/mol
Exact Mass334.07
IUPAC Name1-butyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
SMILESCCCCN/C(N)=N/Cc1ccccn1.I
InChIInChI=1S/C11H18N4.HI/c1-2-3-7-14-11(12)15-9-10-6-4-5-8-13-10;/h4-6,8H,2-3,7,9H2,1H3,(H3,12,14,15);1H
InChIKeyYNLMRJKWVQVOMZ-UHFFFAOYSA-N
XLogP1.90
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

1-butyl-2-(pyridin-2-ylmethyl)guanidine
CID 111023231
2-octyl-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111024681
1-(2-methylpropyl)-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110912092
1-amino-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 86736541
2-hexyl-1-(2-pyridin-2-ylethyl)guanidine
CID 111023818
1-(2-methylpropyl)-2-(pyridin-2-ylmethyl)guanidine
CID 62362398
1-butyl-2-[4-(pyridin-2-ylamino)butyl]guanidine;hydroiodide
CID 111097152
2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111806949
2-[(6-methyl-2-pyridinyl)methyl]-1-octylguanidine;hydroiodide
CID 111062653
2-(2-methylnonyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111076559
2-[(3-methyl-2-pyridinyl)methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111802397
2-[(2-methylphenyl)methyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111031430

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide?
The IUPAC name of 1-butyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide (CID 111023230) is 1-butyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-butyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide?
The canonical SMILES for 1-butyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide is CCCCN/C(N)=N/Cc1ccccn1.I.
What is the InChIKey of 1-butyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide?
The InChIKey is YNLMRJKWVQVOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4.HI/c1-2-3-7-14-11(12)15-9-10-6-4-5-8-13-10;/h4-6,8H,2-3,7,9H2,1H3,(H3,12,14,15);1H.
What are the key properties of 1-butyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide?
1-butyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide has a molecular weight of 334.21 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide is sourced from PubChem (CID 111023230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).