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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopropyl-2-[(4-methoxy-3-pyridinyl)methyl]guanidine
CID 122082803
1-cyclopropyl-2-[(2-methylphenyl)methyl]guanidine
CID 62364183
2-[(3-methyl-4-pyridinyl)methyl]-1-propan-2-ylguanidine
CID 114700720
1-cyclopropyl-2-(pyridin-4-ylmethyl)guanidine
CID 62362184
1-cyclopentyl-2-[(5-methyl-1H-pyrazol-4-yl)methyl]guanidine
CID 62369717
1-cyclopropyl-2-(quinolin-4-ylmethyl)guanidine
CID 111751900
1-cyclopropyl-2-[(3-methylthiophen-2-yl)methyl]guanidine
CID 78989976
2-[(2-chlorophenyl)methyl]-1-cyclopropylguanidine
CID 62364373
1-cyclopropyl-2-[(2-methyl-3-nitrophenyl)methyl]guanidine
CID 103111167
N'-[(4-methyl-3-pyridinyl)methyl]cyclopropanecarboximidamide
CID 114957607
N'-[(4-methyl-3-pyridinyl)methyl]ethanimidamide
CID 114957609
1-cyclopropyl-2-[(3-methylphenyl)methyl]guanidine
CID 62361764

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).