3-amino-1-methyl-2-propyl-1-(2-pyridin-4-ylethyl)guanidine

C12H21N5 — CID 116513513

IUPAC3-amino-1-methyl-2-propyl-1-(2-pyridin-4-ylethyl)guanidine
SMILESCCC/N=C(\NN)N(C)CCc1ccncc1
InChIInChI=1S/C12H21N5/c1-3-7-15-12(16-13)17(2)10-6-11-4-8-14-9-5-11/h4-5,8-9H,3,6-7,10,13H2,1-2H3,(H,15,16)
InChIKeyUGZWRNIBYMQLSP-UHFFFAOYSA-N
MW235.34 g/mol
LogP0.79
Rot. Bonds5

About 3-amino-1-methyl-2-propyl-1-(2-pyridin-4-ylethyl)guanidine

3-amino-1-methyl-2-propyl-1-(2-pyridin-4-ylethyl)guanidine (PubChem CID 116513513) has the molecular formula C12H21N5 and a molecular weight of 235.34 g/mol. Its IUPAC name is 3-amino-1-methyl-2-propyl-1-(2-pyridin-4-ylethyl)guanidine.

Molecular Properties

Compound Name3-amino-1-methyl-2-propyl-1-(2-pyridin-4-ylethyl)guanidine
PubChem CID116513513
Molecular FormulaC12H21N5
Molecular Weight235.34 g/mol
Exact Mass235.18
IUPAC Name3-amino-1-methyl-2-propyl-1-(2-pyridin-4-ylethyl)guanidine
SMILESCCC/N=C(\NN)N(C)CCc1ccncc1
InChIInChI=1S/C12H21N5/c1-3-7-15-12(16-13)17(2)10-6-11-4-8-14-9-5-11/h4-5,8-9H,3,6-7,10,13H2,1-2H3,(H,15,16)
InChIKeyUGZWRNIBYMQLSP-UHFFFAOYSA-N
XLogP0.79
TPSA66.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.34
LogP ≤ 50.79
H-Bond Donors ≤ 52
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'}

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Related Compounds

1-methyl-3-propyl-1-(2-pyridin-4-ylethyl)thiourea
CID 116507576
2-[methyl(2-pyridin-4-ylethyl)amino]pentanehydrazide
CID 83047665
N-methyl-3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-pyridin-4-ylethyl)propanamide
CID 109025999
3-amino-1-methyl-2-propyl-1-(2-pyrrolidin-1-ylethyl)guanidine
CID 104885892
1-N-butyl-1-N,4-N-dimethyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109048088
3-amino-2-butyl-1-[2-(dimethylamino)ethyl]-1-methylguanidine
CID 104886352
N-methyl-2-(methylamino)-N-(2-pyridin-4-ylethyl)acetamide
CID 60913880
2-(4-aminophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 28711694
3-cyclopropyl-1-methyl-1-(2-pyridin-4-ylethyl)thiourea
CID 116507582
5-N-methyl-3-N-propyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109101177
2-chloro-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 60913202
3-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]butanehydrazide
CID 55213835

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-methyl-2-propyl-1-(2-pyridin-4-ylethyl)guanidine?
The IUPAC name of 3-amino-1-methyl-2-propyl-1-(2-pyridin-4-ylethyl)guanidine (CID 116513513) is 3-amino-1-methyl-2-propyl-1-(2-pyridin-4-ylethyl)guanidine.
What is the SMILES notation for 3-amino-1-methyl-2-propyl-1-(2-pyridin-4-ylethyl)guanidine?
The canonical SMILES for 3-amino-1-methyl-2-propyl-1-(2-pyridin-4-ylethyl)guanidine is CCC/N=C(\NN)N(C)CCc1ccncc1.
What is the InChIKey of 3-amino-1-methyl-2-propyl-1-(2-pyridin-4-ylethyl)guanidine?
The InChIKey is UGZWRNIBYMQLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-3-7-15-12(16-13)17(2)10-6-11-4-8-14-9-5-11/h4-5,8-9H,3,6-7,10,13H2,1-2H3,(H,15,16).
What are the key properties of 3-amino-1-methyl-2-propyl-1-(2-pyridin-4-ylethyl)guanidine?
3-amino-1-methyl-2-propyl-1-(2-pyridin-4-ylethyl)guanidine has a molecular weight of 235.34 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-methyl-2-propyl-1-(2-pyridin-4-ylethyl)guanidine is sourced from PubChem (CID 116513513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).