1-cyclopropyl-2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-methylguanidine

C13H21N5 — CID 110031795

IUPAC1-cyclopropyl-2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-methylguanidine
SMILESCN(C)c1cccc(C/N=C(\N)N(C)C2CC2)n1
InChIInChI=1S/C13H21N5/c1-17(2)12-6-4-5-10(16-12)9-15-13(14)18(3)11-7-8-11/h4-6,11H,7-9H2,1-3H3,(H2,14,15)
InChIKeyIZNIHVGXVFORNL-UHFFFAOYSA-N
MW247.35 g/mol
LogP1.06
Rot. Bonds4

About 1-cyclopropyl-2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-methylguanidine

1-cyclopropyl-2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-methylguanidine (PubChem CID 110031795) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 1-cyclopropyl-2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-methylguanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-methylguanidine
PubChem CID110031795
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name1-cyclopropyl-2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-methylguanidine
SMILESCN(C)c1cccc(C/N=C(\N)N(C)C2CC2)n1
InChIInChI=1S/C13H21N5/c1-17(2)12-6-4-5-10(16-12)9-15-13(14)18(3)11-7-8-11/h4-6,11H,7-9H2,1-3H3,(H2,14,15)
InChIKeyIZNIHVGXVFORNL-UHFFFAOYSA-N
XLogP1.06
TPSA57.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 51.06
H-Bond Donors ≤ 51
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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Related Compounds

1-cyclopropyl-2-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-methylguanidine
CID 110029530
1-cyclopropyl-1-methyl-2-[(4-methyl-2-pyridinyl)methyl]guanidine
CID 122096467
1-cyclopropyl-1-methyl-2-(quinolin-8-ylmethyl)guanidine;hydroiodide
CID 110030751
2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1,3-diethylguanidine
CID 86780962
1-cyclopropyl-1-methyl-2-(pyridin-3-ylmethyl)guanidine
CID 110029384
1-cyclopropyl-1-methyl-2-[(2-methylphenyl)methyl]guanidine;hydroiodide
CID 110029535
1-cyclopropyl-2-[(4-methoxyphenyl)methyl]-1-methylguanidine
CID 110029396
1-cyclopropyl-1-methyl-2-(naphthalen-2-ylmethyl)guanidine;hydroiodide
CID 110029931
6-(aminomethyl)-N,N-dimethylpyridin-2-amine
CID 62300498
2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-(3-ethoxypropyl)guanidine;hydroiodide
CID 109394754
1-cyclopropyl-2-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-1-methylguanidine
CID 110030402
2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-octylguanidine;hydroiodide
CID 109394728

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-methylguanidine?
The IUPAC name of 1-cyclopropyl-2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-methylguanidine (CID 110031795) is 1-cyclopropyl-2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-methylguanidine.
What is the SMILES notation for 1-cyclopropyl-2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-methylguanidine?
The canonical SMILES for 1-cyclopropyl-2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-methylguanidine is CN(C)c1cccc(C/N=C(\N)N(C)C2CC2)n1.
What is the InChIKey of 1-cyclopropyl-2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-methylguanidine?
The InChIKey is IZNIHVGXVFORNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-17(2)12-6-4-5-10(16-12)9-15-13(14)18(3)11-7-8-11/h4-6,11H,7-9H2,1-3H3,(H2,14,15).
What are the key properties of 1-cyclopropyl-2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-methylguanidine?
1-cyclopropyl-2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-methylguanidine has a molecular weight of 247.35 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-methylguanidine is sourced from PubChem (CID 110031795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).