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

C11H18N4 — CID 111023231

IUPAC1-butyl-2-(pyridin-2-ylmethyl)guanidine
SMILESCCCCN/C(N)=N/Cc1ccccn1
InChIInChI=1S/C11H18N4/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)
InChIKeyOXZWKNHBQCMPLP-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.29
Rot. Bonds5

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

1-butyl-2-(pyridin-2-ylmethyl)guanidine (PubChem CID 111023231) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-butyl-2-(pyridin-2-ylmethyl)guanidine.

Molecular Properties

Compound Name1-butyl-2-(pyridin-2-ylmethyl)guanidine
PubChem CID111023231
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name1-butyl-2-(pyridin-2-ylmethyl)guanidine
SMILESCCCCN/C(N)=N/Cc1ccccn1
InChIInChI=1S/C11H18N4/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)
InChIKeyOXZWKNHBQCMPLP-UHFFFAOYSA-N
XLogP1.29
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.29
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'}

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Related Compounds

1-butyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 111023230
2-hexyl-1-(2-pyridin-2-ylethyl)guanidine
CID 111023818
1-(2-methylpropyl)-2-(pyridin-2-ylmethyl)guanidine
CID 62362398
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
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-methylphenyl)methyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111031430
1-butyl-2-[(2-phenylmethoxy-3-pyridinyl)methyl]guanidine
CID 111050524
1-phenyl-2-(pyridin-2-ylmethyl)guanidine
CID 62072214

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-(pyridin-2-ylmethyl)guanidine?
The IUPAC name of 1-butyl-2-(pyridin-2-ylmethyl)guanidine (CID 111023231) is 1-butyl-2-(pyridin-2-ylmethyl)guanidine.
What is the SMILES notation for 1-butyl-2-(pyridin-2-ylmethyl)guanidine?
The canonical SMILES for 1-butyl-2-(pyridin-2-ylmethyl)guanidine is CCCCN/C(N)=N/Cc1ccccn1.
What is the InChIKey of 1-butyl-2-(pyridin-2-ylmethyl)guanidine?
The InChIKey is OXZWKNHBQCMPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/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).
What are the key properties of 1-butyl-2-(pyridin-2-ylmethyl)guanidine?
1-butyl-2-(pyridin-2-ylmethyl)guanidine has a molecular weight of 206.29 g/mol, XLogP of 1.29, 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 is sourced from PubChem (CID 111023231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).