2-[(6-methoxy-3-pyridinyl)methyl]-1-propan-2-ylguanidine

C11H18N4O — CID 62989669

IUPAC2-[(6-methoxy-3-pyridinyl)methyl]-1-propan-2-ylguanidine
SMILESCOc1ccc(C/N=C(\N)NC(C)C)cn1
InChIInChI=1S/C11H18N4O/c1-8(2)15-11(12)14-7-9-4-5-10(16-3)13-6-9/h4-6,8H,7H2,1-3H3,(H3,12,14,15)
InChIKeyNTQKVXHROYASCC-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.90
Rot. Bonds4

About 2-[(6-methoxy-3-pyridinyl)methyl]-1-propan-2-ylguanidine

2-[(6-methoxy-3-pyridinyl)methyl]-1-propan-2-ylguanidine (PubChem CID 62989669) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-[(6-methoxy-3-pyridinyl)methyl]-1-propan-2-ylguanidine.

Molecular Properties

Compound Name2-[(6-methoxy-3-pyridinyl)methyl]-1-propan-2-ylguanidine
PubChem CID62989669
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name2-[(6-methoxy-3-pyridinyl)methyl]-1-propan-2-ylguanidine
SMILESCOc1ccc(C/N=C(\N)NC(C)C)cn1
InChIInChI=1S/C11H18N4O/c1-8(2)15-11(12)14-7-9-4-5-10(16-3)13-6-9/h4-6,8H,7H2,1-3H3,(H3,12,14,15)
InChIKeyNTQKVXHROYASCC-UHFFFAOYSA-N
XLogP0.90
TPSA72.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.90
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'}

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Related Compounds

1-(1-methoxypropan-2-yl)-2-[(6-methoxy-3-pyridinyl)methyl]guanidine
CID 111038786
1-ethyl-2-[(6-methoxy-3-pyridinyl)methyl]-3-propan-2-ylguanidine;hydroiodide
CID 111125780
2-[(6-methoxy-3-pyridinyl)methyl]-1-propylguanidine;hydroiodide
CID 110924455
2-[(6-methoxy-3-pyridinyl)methyl]-1-(2-methylprop-2-enyl)guanidine
CID 111038772
1-(1-methoxypropan-2-yl)-2-[(6-propoxy-3-pyridinyl)methyl]guanidine
CID 111804468
2-[(6-methoxy-3-pyridinyl)methyl]-1-octylguanidine
CID 111038712
N'-[(6-methoxy-3-pyridinyl)methyl]benzenecarboximidamide
CID 55160748
2-[[6-(2,6-dimethoxyphenoxy)-3-pyridinyl]methyl]-1-(6-methylheptan-2-yl)guanidine
CID 111050808
2-[(6-methoxy-3-pyridinyl)methyl]-1,1,3,3-tetramethylguanidine
CID 111038740
2-[(4-fluorophenyl)methyl]-1-propan-2-ylguanidine
CID 62363934
2-[[4-(2-methoxyethoxy)phenyl]methyl]-1-propan-2-ylguanidine;hydroiodide
CID 111061302
1-propan-2-yl-2-[(4-propan-2-yloxyphenyl)methyl]guanidine
CID 111045350

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-3-pyridinyl)methyl]-1-propan-2-ylguanidine?
The IUPAC name of 2-[(6-methoxy-3-pyridinyl)methyl]-1-propan-2-ylguanidine (CID 62989669) is 2-[(6-methoxy-3-pyridinyl)methyl]-1-propan-2-ylguanidine.
What is the SMILES notation for 2-[(6-methoxy-3-pyridinyl)methyl]-1-propan-2-ylguanidine?
The canonical SMILES for 2-[(6-methoxy-3-pyridinyl)methyl]-1-propan-2-ylguanidine is COc1ccc(C/N=C(\N)NC(C)C)cn1.
What is the InChIKey of 2-[(6-methoxy-3-pyridinyl)methyl]-1-propan-2-ylguanidine?
The InChIKey is NTQKVXHROYASCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-8(2)15-11(12)14-7-9-4-5-10(16-3)13-6-9/h4-6,8H,7H2,1-3H3,(H3,12,14,15).
What are the key properties of 2-[(6-methoxy-3-pyridinyl)methyl]-1-propan-2-ylguanidine?
2-[(6-methoxy-3-pyridinyl)methyl]-1-propan-2-ylguanidine has a molecular weight of 222.29 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxy-3-pyridinyl)methyl]-1-propan-2-ylguanidine is sourced from PubChem (CID 62989669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).