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

C12H18N4 — CID 122096467

IUPAC1-cyclopropyl-1-methyl-2-[(4-methyl-2-pyridinyl)methyl]guanidine
SMILESCc1ccnc(C/N=C(\N)N(C)C2CC2)c1
InChIInChI=1S/C12H18N4/c1-9-5-6-14-10(7-9)8-15-12(13)16(2)11-3-4-11/h5-7,11H,3-4,8H2,1-2H3,(H2,13,15)
InChIKeyDCDPLWINMZGPNA-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.30
Rot. Bonds3

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

1-cyclopropyl-1-methyl-2-[(4-methyl-2-pyridinyl)methyl]guanidine (PubChem CID 122096467) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-cyclopropyl-1-methyl-2-[(4-methyl-2-pyridinyl)methyl]guanidine.

Molecular Properties

Compound Name1-cyclopropyl-1-methyl-2-[(4-methyl-2-pyridinyl)methyl]guanidine
PubChem CID122096467
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name1-cyclopropyl-1-methyl-2-[(4-methyl-2-pyridinyl)methyl]guanidine
SMILESCc1ccnc(C/N=C(\N)N(C)C2CC2)c1
InChIInChI=1S/C12H18N4/c1-9-5-6-14-10(7-9)8-15-12(13)16(2)11-3-4-11/h5-7,11H,3-4,8H2,1-2H3,(H2,13,15)
InChIKeyDCDPLWINMZGPNA-UHFFFAOYSA-N
XLogP1.30
TPSA54.51 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.30
H-Bond Donors ≤ 51
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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Related Compounds

1-cyclopropyl-2-[(2,4-dimethylphenyl)methyl]-1-methylguanidine;hydroiodide
CID 110029929
1-cycloheptyl-2-[(4-methyl-2-pyridinyl)methyl]guanidine
CID 122096466
1-cyclopropyl-2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-methylguanidine
CID 110031795
1-cyclopropyl-1-methyl-2-[[3-(3-methylphenyl)phenyl]methyl]guanidine;hydroiodide
CID 110030871
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-1-methyl-2-[(3-pyridin-2-ylphenyl)methyl]guanidine
CID 110031741
1-cyclopropyl-1-methyl-2-(quinolin-8-ylmethyl)guanidine;hydroiodide
CID 110030751
1-cyclopropyl-2-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-methylguanidine
CID 110029530
2-[(4-chlorophenyl)methyl]-1-cyclopropyl-1-methylguanidine;hydroiodide
CID 110029377
1-cyclopropyl-2-[2-hydroxy-2-(3-methylphenyl)ethyl]-1-methylguanidine
CID 110031689
1-cyclopropyl-1-methyl-2-[4-(4-methylphenoxy)butyl]guanidine;hydroiodide
CID 110030120

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-methyl-2-[(4-methyl-2-pyridinyl)methyl]guanidine?
The IUPAC name of 1-cyclopropyl-1-methyl-2-[(4-methyl-2-pyridinyl)methyl]guanidine (CID 122096467) is 1-cyclopropyl-1-methyl-2-[(4-methyl-2-pyridinyl)methyl]guanidine.
What is the SMILES notation for 1-cyclopropyl-1-methyl-2-[(4-methyl-2-pyridinyl)methyl]guanidine?
The canonical SMILES for 1-cyclopropyl-1-methyl-2-[(4-methyl-2-pyridinyl)methyl]guanidine is Cc1ccnc(C/N=C(\N)N(C)C2CC2)c1.
What is the InChIKey of 1-cyclopropyl-1-methyl-2-[(4-methyl-2-pyridinyl)methyl]guanidine?
The InChIKey is DCDPLWINMZGPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-9-5-6-14-10(7-9)8-15-12(13)16(2)11-3-4-11/h5-7,11H,3-4,8H2,1-2H3,(H2,13,15).
What are the key properties of 1-cyclopropyl-1-methyl-2-[(4-methyl-2-pyridinyl)methyl]guanidine?
1-cyclopropyl-1-methyl-2-[(4-methyl-2-pyridinyl)methyl]guanidine has a molecular weight of 218.30 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-methyl-2-[(4-methyl-2-pyridinyl)methyl]guanidine is sourced from PubChem (CID 122096467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).