1-(2-methylpropyl)-2-(pyridin-4-ylmethyl)guanidine

C11H18N4 — CID 62362186

IUPAC1-(2-methylpropyl)-2-(pyridin-4-ylmethyl)guanidine
SMILESCC(C)CN/C(N)=N/Cc1ccncc1
InChIInChI=1S/C11H18N4/c1-9(2)7-14-11(12)15-8-10-3-5-13-6-4-10/h3-6,9H,7-8H2,1-2H3,(H3,12,14,15)
InChIKeyYQAYTSYGRAKKJG-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.14
Rot. Bonds4

About 1-(2-methylpropyl)-2-(pyridin-4-ylmethyl)guanidine

1-(2-methylpropyl)-2-(pyridin-4-ylmethyl)guanidine (PubChem CID 62362186) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-(2-methylpropyl)-2-(pyridin-4-ylmethyl)guanidine.

Molecular Properties

Compound Name1-(2-methylpropyl)-2-(pyridin-4-ylmethyl)guanidine
PubChem CID62362186
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name1-(2-methylpropyl)-2-(pyridin-4-ylmethyl)guanidine
SMILESCC(C)CN/C(N)=N/Cc1ccncc1
InChIInChI=1S/C11H18N4/c1-9(2)7-14-11(12)15-8-10-3-5-13-6-4-10/h3-6,9H,7-8H2,1-2H3,(H3,12,14,15)
InChIKeyYQAYTSYGRAKKJG-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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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-2-(pyridin-4-ylmethyl)guanidine?
The IUPAC name of 1-(2-methylpropyl)-2-(pyridin-4-ylmethyl)guanidine (CID 62362186) is 1-(2-methylpropyl)-2-(pyridin-4-ylmethyl)guanidine.
What is the SMILES notation for 1-(2-methylpropyl)-2-(pyridin-4-ylmethyl)guanidine?
The canonical SMILES for 1-(2-methylpropyl)-2-(pyridin-4-ylmethyl)guanidine is CC(C)CN/C(N)=N/Cc1ccncc1.
What is the InChIKey of 1-(2-methylpropyl)-2-(pyridin-4-ylmethyl)guanidine?
The InChIKey is YQAYTSYGRAKKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-9(2)7-14-11(12)15-8-10-3-5-13-6-4-10/h3-6,9H,7-8H2,1-2H3,(H3,12,14,15).
What are the key properties of 1-(2-methylpropyl)-2-(pyridin-4-ylmethyl)guanidine?
1-(2-methylpropyl)-2-(pyridin-4-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-4-ylmethyl)guanidine is sourced from PubChem (CID 62362186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).