2-[(4-ethyl-2-pyridinyl)methyl]-1-propan-2-ylguanidine

C12H20N4 — CID 122082621

IUPAC2-[(4-ethyl-2-pyridinyl)methyl]-1-propan-2-ylguanidine
SMILESCCc1ccnc(C/N=C(\N)NC(C)C)c1
InChIInChI=1S/C12H20N4/c1-4-10-5-6-14-11(7-10)8-15-12(13)16-9(2)3/h5-7,9H,4,8H2,1-3H3,(H3,13,15,16)
InChIKeyCDSVJRHRTKFONM-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.46
Rot. Bonds4

About 2-[(4-ethyl-2-pyridinyl)methyl]-1-propan-2-ylguanidine

2-[(4-ethyl-2-pyridinyl)methyl]-1-propan-2-ylguanidine (PubChem CID 122082621) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-[(4-ethyl-2-pyridinyl)methyl]-1-propan-2-ylguanidine.

Molecular Properties

Compound Name2-[(4-ethyl-2-pyridinyl)methyl]-1-propan-2-ylguanidine
PubChem CID122082621
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name2-[(4-ethyl-2-pyridinyl)methyl]-1-propan-2-ylguanidine
SMILESCCc1ccnc(C/N=C(\N)NC(C)C)c1
InChIInChI=1S/C12H20N4/c1-4-10-5-6-14-11(7-10)8-15-12(13)16-9(2)3/h5-7,9H,4,8H2,1-3H3,(H3,13,15,16)
InChIKeyCDSVJRHRTKFONM-UHFFFAOYSA-N
XLogP1.46
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.46
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-cyclopropyl-2-[(4-ethyl-2-pyridinyl)methyl]guanidine
CID 122082620
2-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-propan-2-ylguanidine
CID 111055867
2-[(4-ethyl-2-pyridinyl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 120671939
2-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1-propan-2-ylguanidine
CID 111049026
1-propan-2-yl-2-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]guanidine;hydroiodide
CID 111050187
1-propan-2-yl-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide
CID 111049841
1-propan-2-yl-2-(1,3-thiazol-2-ylmethyl)guanidine
CID 62363334
2-[(3-butoxyphenyl)methyl]-1-propan-2-ylguanidine
CID 111049510
1-propan-2-yl-2-(2-pyridin-2-ylethyl)guanidine
CID 62363919
2-[(4-fluorophenyl)methyl]-1-propan-2-ylguanidine
CID 62363934
2-[(2-ethoxy-3-pyridinyl)methyl]-1-propan-2-ylguanidine
CID 111050722
2-[(2-ethoxy-3-pyridinyl)methyl]-1-propan-2-ylguanidine;hydroiodide
CID 111050721

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethyl-2-pyridinyl)methyl]-1-propan-2-ylguanidine?
The IUPAC name of 2-[(4-ethyl-2-pyridinyl)methyl]-1-propan-2-ylguanidine (CID 122082621) is 2-[(4-ethyl-2-pyridinyl)methyl]-1-propan-2-ylguanidine.
What is the SMILES notation for 2-[(4-ethyl-2-pyridinyl)methyl]-1-propan-2-ylguanidine?
The canonical SMILES for 2-[(4-ethyl-2-pyridinyl)methyl]-1-propan-2-ylguanidine is CCc1ccnc(C/N=C(\N)NC(C)C)c1.
What is the InChIKey of 2-[(4-ethyl-2-pyridinyl)methyl]-1-propan-2-ylguanidine?
The InChIKey is CDSVJRHRTKFONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-4-10-5-6-14-11(7-10)8-15-12(13)16-9(2)3/h5-7,9H,4,8H2,1-3H3,(H3,13,15,16).
What are the key properties of 2-[(4-ethyl-2-pyridinyl)methyl]-1-propan-2-ylguanidine?
2-[(4-ethyl-2-pyridinyl)methyl]-1-propan-2-ylguanidine has a molecular weight of 220.32 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethyl-2-pyridinyl)methyl]-1-propan-2-ylguanidine is sourced from PubChem (CID 122082621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).