1-amino-2-[(4-methyl-3-pyridinyl)methyl]-3-propylguanidine

C11H19N5 — CID 114958064

IUPAC1-amino-2-[(4-methyl-3-pyridinyl)methyl]-3-propylguanidine
SMILESCCCN/C(=N\Cc1cnccc1C)NN
InChIInChI=1S/C11H19N5/c1-3-5-14-11(16-12)15-8-10-7-13-6-4-9(10)2/h4,6-7H,3,5,8,12H2,1-2H3,(H2,14,15,16)
InChIKeyWCKYEZHZNLPSAV-UHFFFAOYSA-N
MW221.31 g/mol
LogP0.71
Rot. Bonds4

About 1-amino-2-[(4-methyl-3-pyridinyl)methyl]-3-propylguanidine

1-amino-2-[(4-methyl-3-pyridinyl)methyl]-3-propylguanidine (PubChem CID 114958064) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is 1-amino-2-[(4-methyl-3-pyridinyl)methyl]-3-propylguanidine.

Molecular Properties

Compound Name1-amino-2-[(4-methyl-3-pyridinyl)methyl]-3-propylguanidine
PubChem CID114958064
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC Name1-amino-2-[(4-methyl-3-pyridinyl)methyl]-3-propylguanidine
SMILESCCCN/C(=N\Cc1cnccc1C)NN
InChIInChI=1S/C11H19N5/c1-3-5-14-11(16-12)15-8-10-7-13-6-4-9(10)2/h4,6-7H,3,5,8,12H2,1-2H3,(H2,14,15,16)
InChIKeyWCKYEZHZNLPSAV-UHFFFAOYSA-N
XLogP0.71
TPSA75.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-amino-2-[(4-methyl-3-pyridinyl)methyl]-3-propylguanidine 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

N'-[(4-methyl-3-pyridinyl)methyl]ethanimidamide
CID 114957609
1-[(4-methyl-3-pyridinyl)methyl]-3-propylurea
CID 114955224
1-amino-2-[(2-methylpyrazol-3-yl)methyl]-3-propylguanidine
CID 104886304
1-amino-2-[(5-methylfuran-2-yl)methyl]-3-propylguanidine
CID 116511027
1-amino-3-(4-methyl-3-pyridinyl)-2-propylguanidine
CID 116515197
1-amino-2-(1,2-oxazol-3-ylmethyl)-3-propylguanidine
CID 116516090
N'-[(4-methyl-3-pyridinyl)methyl]cyclopropanecarboximidamide
CID 114957607
1-amino-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propylguanidine
CID 116513829
N'-hydroxy-2-(4-methyl-3-pyridinyl)ethanimidamide
CID 83873294
1-amino-3-butyl-2-[(4-methylphenyl)methyl]guanidine
CID 116512548
1-amino-3-ethyl-2-[(3-methyl-2-pyridinyl)methyl]guanidine
CID 116515248
2-[(2,4-dimethylphenyl)methyl]-1-ethyl-3-propylguanidine;hydroiodide
CID 111225204

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[(4-methyl-3-pyridinyl)methyl]-3-propylguanidine?
The IUPAC name of 1-amino-2-[(4-methyl-3-pyridinyl)methyl]-3-propylguanidine (CID 114958064) is 1-amino-2-[(4-methyl-3-pyridinyl)methyl]-3-propylguanidine.
What is the SMILES notation for 1-amino-2-[(4-methyl-3-pyridinyl)methyl]-3-propylguanidine?
The canonical SMILES for 1-amino-2-[(4-methyl-3-pyridinyl)methyl]-3-propylguanidine is CCCN/C(=N\Cc1cnccc1C)NN.
What is the InChIKey of 1-amino-2-[(4-methyl-3-pyridinyl)methyl]-3-propylguanidine?
The InChIKey is WCKYEZHZNLPSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5/c1-3-5-14-11(16-12)15-8-10-7-13-6-4-9(10)2/h4,6-7H,3,5,8,12H2,1-2H3,(H2,14,15,16).
What are the key properties of 1-amino-2-[(4-methyl-3-pyridinyl)methyl]-3-propylguanidine?
1-amino-2-[(4-methyl-3-pyridinyl)methyl]-3-propylguanidine has a molecular weight of 221.31 g/mol, XLogP of 0.71, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[(4-methyl-3-pyridinyl)methyl]-3-propylguanidine is sourced from PubChem (CID 114958064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).