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

C11H18N4 — CID 62362398

IUPAC1-(2-methylpropyl)-2-(pyridin-2-ylmethyl)guanidine
SMILESCC(C)CN/C(N)=N/Cc1ccccn1
InChIInChI=1S/C11H18N4/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)
InChIKeyXSYZHPVJDGSMFZ-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.14
Rot. Bonds4

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

1-(2-methylpropyl)-2-(pyridin-2-ylmethyl)guanidine (PubChem CID 62362398) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-(2-methylpropyl)-2-(pyridin-2-ylmethyl)guanidine.

Molecular Properties

Compound Name1-(2-methylpropyl)-2-(pyridin-2-ylmethyl)guanidine
PubChem CID62362398
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name1-(2-methylpropyl)-2-(pyridin-2-ylmethyl)guanidine
SMILESCC(C)CN/C(N)=N/Cc1ccccn1
InChIInChI=1S/C11H18N4/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)
InChIKeyXSYZHPVJDGSMFZ-UHFFFAOYSA-N
XLogP1.14
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.14
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'}

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Related Compounds

1-(2-methylpropyl)-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110912092
1-butyl-2-(pyridin-2-ylmethyl)guanidine
CID 111023231
1-amino-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 86736541
1-butyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 111023230
2-[(6-methoxy-2-pyridinyl)methyl]-1-(2-methylpropyl)guanidine;hydroiodide
CID 111087779
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
N'-(pyridin-2-ylmethyl)pyridine-2-carboximidamide
CID 528154
1-(2-methylpropyl)-2-(pyridin-3-ylmethyl)guanidine
CID 62361961
1-(2-methylpropyl)-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]guanidine
CID 111802574
1-(2-methylpropyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 111038263

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-2-(pyridin-2-ylmethyl)guanidine?
The IUPAC name of 1-(2-methylpropyl)-2-(pyridin-2-ylmethyl)guanidine (CID 62362398) is 1-(2-methylpropyl)-2-(pyridin-2-ylmethyl)guanidine.
What is the SMILES notation for 1-(2-methylpropyl)-2-(pyridin-2-ylmethyl)guanidine?
The canonical SMILES for 1-(2-methylpropyl)-2-(pyridin-2-ylmethyl)guanidine is CC(C)CN/C(N)=N/Cc1ccccn1.
What is the InChIKey of 1-(2-methylpropyl)-2-(pyridin-2-ylmethyl)guanidine?
The InChIKey is XSYZHPVJDGSMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/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).
What are the key properties of 1-(2-methylpropyl)-2-(pyridin-2-ylmethyl)guanidine?
1-(2-methylpropyl)-2-(pyridin-2-ylmethyl)guanidine has a molecular weight of 206.29 g/mol, XLogP of 1.14, 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 is sourced from PubChem (CID 62362398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).