2-methyl-1-prop-2-enyl-3-[(6-propoxy-3-pyridinyl)methyl]guanidine

C14H22N4O — CID 111548373

IUPAC2-methyl-1-prop-2-enyl-3-[(6-propoxy-3-pyridinyl)methyl]guanidine
SMILESC=CCN/C(=N\C)NCc1ccc(OCCC)nc1
InChIInChI=1S/C14H22N4O/c1-4-8-16-14(15-3)18-11-12-6-7-13(17-10-12)19-9-5-2/h4,6-7,10H,1,5,8-9,11H2,2-3H3,(H2,15,16,18)
InChIKeyOFBFHDOLFASSIY-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.72
Rot. Bonds7

About 2-methyl-1-prop-2-enyl-3-[(6-propoxy-3-pyridinyl)methyl]guanidine

2-methyl-1-prop-2-enyl-3-[(6-propoxy-3-pyridinyl)methyl]guanidine (PubChem CID 111548373) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-methyl-1-prop-2-enyl-3-[(6-propoxy-3-pyridinyl)methyl]guanidine.

Molecular Properties

Compound Name2-methyl-1-prop-2-enyl-3-[(6-propoxy-3-pyridinyl)methyl]guanidine
PubChem CID111548373
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-methyl-1-prop-2-enyl-3-[(6-propoxy-3-pyridinyl)methyl]guanidine
SMILESC=CCN/C(=N\C)NCc1ccc(OCCC)nc1
InChIInChI=1S/C14H22N4O/c1-4-8-16-14(15-3)18-11-12-6-7-13(17-10-12)19-9-5-2/h4,6-7,10H,1,5,8-9,11H2,2-3H3,(H2,15,16,18)
InChIKeyOFBFHDOLFASSIY-UHFFFAOYSA-N
XLogP1.72
TPSA58.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-tert-butyl-2-methyl-3-[(6-propoxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111547106
2-methyl-1-(2-phenoxyethyl)-3-[(6-propoxy-3-pyridinyl)methyl]guanidine
CID 111834161
1-[(2-fluorophenyl)methyl]-2-methyl-3-[(6-propoxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111837310
2-methyl-1-prop-2-enyl-3-[(3-propoxyphenyl)methyl]guanidine
CID 110980915
1-(1-methoxypropan-2-yl)-2-methyl-3-[(6-propoxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111836694
1-[2-(furan-2-yl)ethyl]-2-methyl-3-[(6-propoxy-3-pyridinyl)methyl]guanidine
CID 111838821
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-[(6-propoxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111840158
2-methyl-1-(oxolan-2-ylmethyl)-3-[(6-propoxy-3-pyridinyl)methyl]guanidine
CID 111834955
1-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-[(6-propoxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111838398
1-(3-cyclohexyloxypropyl)-2-methyl-3-[(6-propoxy-3-pyridinyl)methyl]guanidine
CID 111839915
1-hexyl-3-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methylguanidine;hydroiodide
CID 111161926
1-[(4-chlorophenyl)methyl]-2-methyl-3-prop-2-enylguanidine
CID 110981419

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-prop-2-enyl-3-[(6-propoxy-3-pyridinyl)methyl]guanidine?
The IUPAC name of 2-methyl-1-prop-2-enyl-3-[(6-propoxy-3-pyridinyl)methyl]guanidine (CID 111548373) is 2-methyl-1-prop-2-enyl-3-[(6-propoxy-3-pyridinyl)methyl]guanidine.
What is the SMILES notation for 2-methyl-1-prop-2-enyl-3-[(6-propoxy-3-pyridinyl)methyl]guanidine?
The canonical SMILES for 2-methyl-1-prop-2-enyl-3-[(6-propoxy-3-pyridinyl)methyl]guanidine is C=CCN/C(=N\C)NCc1ccc(OCCC)nc1.
What is the InChIKey of 2-methyl-1-prop-2-enyl-3-[(6-propoxy-3-pyridinyl)methyl]guanidine?
The InChIKey is OFBFHDOLFASSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-4-8-16-14(15-3)18-11-12-6-7-13(17-10-12)19-9-5-2/h4,6-7,10H,1,5,8-9,11H2,2-3H3,(H2,15,16,18).
What are the key properties of 2-methyl-1-prop-2-enyl-3-[(6-propoxy-3-pyridinyl)methyl]guanidine?
2-methyl-1-prop-2-enyl-3-[(6-propoxy-3-pyridinyl)methyl]guanidine has a molecular weight of 262.36 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-prop-2-enyl-3-[(6-propoxy-3-pyridinyl)methyl]guanidine is sourced from PubChem (CID 111548373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).