1-cyclopropyl-2-[(3-methyl-4-pyridinyl)methyl]guanidine

C11H16N4 — CID 114700716

IUPAC1-cyclopropyl-2-[(3-methyl-4-pyridinyl)methyl]guanidine
SMILESCc1cnccc1C/N=C(\N)NC1CC1
InChIInChI=1S/C11H16N4/c1-8-6-13-5-4-9(8)7-14-11(12)15-10-2-3-10/h4-6,10H,2-3,7H2,1H3,(H3,12,14,15)
InChIKeyRXCMHXOKPVMMEB-UHFFFAOYSA-N
MW204.28 g/mol
LogP0.96
Rot. Bonds3

About 1-cyclopropyl-2-[(3-methyl-4-pyridinyl)methyl]guanidine

1-cyclopropyl-2-[(3-methyl-4-pyridinyl)methyl]guanidine (PubChem CID 114700716) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 1-cyclopropyl-2-[(3-methyl-4-pyridinyl)methyl]guanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-[(3-methyl-4-pyridinyl)methyl]guanidine
PubChem CID114700716
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name1-cyclopropyl-2-[(3-methyl-4-pyridinyl)methyl]guanidine
SMILESCc1cnccc1C/N=C(\N)NC1CC1
InChIInChI=1S/C11H16N4/c1-8-6-13-5-4-9(8)7-14-11(12)15-10-2-3-10/h4-6,10H,2-3,7H2,1H3,(H3,12,14,15)
InChIKeyRXCMHXOKPVMMEB-UHFFFAOYSA-N
XLogP0.96
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 50.96
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-cyclopropyl-2-[(3-methyl-4-pyridinyl)methyl]guanidine?
The IUPAC name of 1-cyclopropyl-2-[(3-methyl-4-pyridinyl)methyl]guanidine (CID 114700716) is 1-cyclopropyl-2-[(3-methyl-4-pyridinyl)methyl]guanidine.
What is the SMILES notation for 1-cyclopropyl-2-[(3-methyl-4-pyridinyl)methyl]guanidine?
The canonical SMILES for 1-cyclopropyl-2-[(3-methyl-4-pyridinyl)methyl]guanidine is Cc1cnccc1C/N=C(\N)NC1CC1.
What is the InChIKey of 1-cyclopropyl-2-[(3-methyl-4-pyridinyl)methyl]guanidine?
The InChIKey is RXCMHXOKPVMMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-8-6-13-5-4-9(8)7-14-11(12)15-10-2-3-10/h4-6,10H,2-3,7H2,1H3,(H3,12,14,15).
What are the key properties of 1-cyclopropyl-2-[(3-methyl-4-pyridinyl)methyl]guanidine?
1-cyclopropyl-2-[(3-methyl-4-pyridinyl)methyl]guanidine has a molecular weight of 204.28 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[(3-methyl-4-pyridinyl)methyl]guanidine is sourced from PubChem (CID 114700716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).