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

C12H18N4 — CID 122082620

IUPAC1-cyclopropyl-2-[(4-ethyl-2-pyridinyl)methyl]guanidine
SMILESCCc1ccnc(C/N=C(\N)NC2CC2)c1
InChIInChI=1S/C12H18N4/c1-2-9-5-6-14-11(7-9)8-15-12(13)16-10-3-4-10/h5-7,10H,2-4,8H2,1H3,(H3,13,15,16)
InChIKeyILRAEZGBWIQCHF-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.21
Rot. Bonds4

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

1-cyclopropyl-2-[(4-ethyl-2-pyridinyl)methyl]guanidine (PubChem CID 122082620) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-cyclopropyl-2-[(4-ethyl-2-pyridinyl)methyl]guanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-[(4-ethyl-2-pyridinyl)methyl]guanidine
PubChem CID122082620
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name1-cyclopropyl-2-[(4-ethyl-2-pyridinyl)methyl]guanidine
SMILESCCc1ccnc(C/N=C(\N)NC2CC2)c1
InChIInChI=1S/C12H18N4/c1-2-9-5-6-14-11(7-9)8-15-12(13)16-10-3-4-10/h5-7,10H,2-4,8H2,1H3,(H3,13,15,16)
InChIKeyILRAEZGBWIQCHF-UHFFFAOYSA-N
XLogP1.21
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.21
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'}

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Related Compounds

1-cycloheptyl-2-[(4-methyl-2-pyridinyl)methyl]guanidine
CID 122096466
2-[(4-ethyl-2-pyridinyl)methyl]-1-propan-2-ylguanidine
CID 122082621
1-cyclopropyl-2-(pyridin-4-ylmethyl)guanidine
CID 62362184
2-[(4-ethyl-2-pyridinyl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 120671939
1-cyclopropyl-2-[(6-methoxy-2-pyridinyl)methyl]guanidine
CID 110916988
2-[(2-cyclohexyloxy-4-pyridinyl)methyl]-1-cyclopentylguanidine
CID 119121177
1-cyclopropyl-2-[(3-methylphenyl)methyl]guanidine
CID 62361764
1-cyclohexyl-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide
CID 111041376
1-cyclopropyl-2-(quinolin-4-ylmethyl)guanidine
CID 111751900
1-(1-benzylpiperidin-4-yl)-2-(pyridin-2-ylmethyl)guanidine
CID 119117109
1-cyclohexyl-2-[(2,6-dimethylpyrimidin-4-yl)methyl]guanidine
CID 120913740
1-cyclohexyl-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine
CID 111049820

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[(4-ethyl-2-pyridinyl)methyl]guanidine?
The IUPAC name of 1-cyclopropyl-2-[(4-ethyl-2-pyridinyl)methyl]guanidine (CID 122082620) is 1-cyclopropyl-2-[(4-ethyl-2-pyridinyl)methyl]guanidine.
What is the SMILES notation for 1-cyclopropyl-2-[(4-ethyl-2-pyridinyl)methyl]guanidine?
The canonical SMILES for 1-cyclopropyl-2-[(4-ethyl-2-pyridinyl)methyl]guanidine is CCc1ccnc(C/N=C(\N)NC2CC2)c1.
What is the InChIKey of 1-cyclopropyl-2-[(4-ethyl-2-pyridinyl)methyl]guanidine?
The InChIKey is ILRAEZGBWIQCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-2-9-5-6-14-11(7-9)8-15-12(13)16-10-3-4-10/h5-7,10H,2-4,8H2,1H3,(H3,13,15,16).
What are the key properties of 1-cyclopropyl-2-[(4-ethyl-2-pyridinyl)methyl]guanidine?
1-cyclopropyl-2-[(4-ethyl-2-pyridinyl)methyl]guanidine has a molecular weight of 218.30 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[(4-ethyl-2-pyridinyl)methyl]guanidine is sourced from PubChem (CID 122082620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).