1-[(3R)-1-methylpyrrolidin-3-yl]-2-(pyridin-2-ylmethyl)guanidine

C12H19N5 — CID 67208588

IUPAC1-[(3R)-1-methylpyrrolidin-3-yl]-2-(pyridin-2-ylmethyl)guanidine
SMILESCN1CC[C@@H](N/C(N)=N/Cc2ccccn2)C1
InChIInChI=1S/C12H19N5/c1-17-7-5-11(9-17)16-12(13)15-8-10-4-2-3-6-14-10/h2-4,6,11H,5,7-9H2,1H3,(H3,13,15,16)/t11-/m1/s1
InChIKeyRLFXIXWYYBNKEZ-LLVKDONJSA-N
MW233.32 g/mol
LogP0.19
Rot. Bonds3

About 1-[(3R)-1-methylpyrrolidin-3-yl]-2-(pyridin-2-ylmethyl)guanidine

1-[(3R)-1-methylpyrrolidin-3-yl]-2-(pyridin-2-ylmethyl)guanidine (PubChem CID 67208588) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 1-[(3R)-1-methylpyrrolidin-3-yl]-2-(pyridin-2-ylmethyl)guanidine.

Molecular Properties

Compound Name1-[(3R)-1-methylpyrrolidin-3-yl]-2-(pyridin-2-ylmethyl)guanidine
PubChem CID67208588
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name1-[(3R)-1-methylpyrrolidin-3-yl]-2-(pyridin-2-ylmethyl)guanidine
SMILESCN1CC[C@@H](N/C(N)=N/Cc2ccccn2)C1
InChIInChI=1S/C12H19N5/c1-17-7-5-11(9-17)16-12(13)15-8-10-4-2-3-6-14-10/h2-4,6,11H,5,7-9H2,1H3,(H3,13,15,16)/t11-/m1/s1
InChIKeyRLFXIXWYYBNKEZ-LLVKDONJSA-N
XLogP0.19
TPSA66.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(3R)-1-methylpyrrolidin-3-yl]-2-(pyridin-2-ylmethyl)guanidine?
The IUPAC name of 1-[(3R)-1-methylpyrrolidin-3-yl]-2-(pyridin-2-ylmethyl)guanidine (CID 67208588) is 1-[(3R)-1-methylpyrrolidin-3-yl]-2-(pyridin-2-ylmethyl)guanidine.
What is the SMILES notation for 1-[(3R)-1-methylpyrrolidin-3-yl]-2-(pyridin-2-ylmethyl)guanidine?
The canonical SMILES for 1-[(3R)-1-methylpyrrolidin-3-yl]-2-(pyridin-2-ylmethyl)guanidine is CN1CC[C@@H](N/C(N)=N/Cc2ccccn2)C1.
What is the InChIKey of 1-[(3R)-1-methylpyrrolidin-3-yl]-2-(pyridin-2-ylmethyl)guanidine?
The InChIKey is RLFXIXWYYBNKEZ-LLVKDONJSA-N. The full InChI is InChI=1S/C12H19N5/c1-17-7-5-11(9-17)16-12(13)15-8-10-4-2-3-6-14-10/h2-4,6,11H,5,7-9H2,1H3,(H3,13,15,16)/t11-/m1/s1.
What are the key properties of 1-[(3R)-1-methylpyrrolidin-3-yl]-2-(pyridin-2-ylmethyl)guanidine?
1-[(3R)-1-methylpyrrolidin-3-yl]-2-(pyridin-2-ylmethyl)guanidine has a molecular weight of 233.32 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-methylpyrrolidin-3-yl]-2-(pyridin-2-ylmethyl)guanidine is sourced from PubChem (CID 67208588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).