1-butan-2-yl-3-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]guanidine

C14H24N4O — CID 110943978

IUPAC1-butan-2-yl-3-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]guanidine
SMILESCCN/C(=N\Cc1cccc(OC)n1)NC(C)CC
InChIInChI=1S/C14H24N4O/c1-5-11(3)17-14(15-6-2)16-10-12-8-7-9-13(18-12)19-4/h7-9,11H,5-6,10H2,1-4H3,(H2,15,16,17)
InChIKeyJOJCHUSBPSPXKL-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.94
Rot. Bonds6

About 1-butan-2-yl-3-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]guanidine

1-butan-2-yl-3-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]guanidine (PubChem CID 110943978) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-butan-2-yl-3-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]guanidine.

Molecular Properties

Compound Name1-butan-2-yl-3-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]guanidine
PubChem CID110943978
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name1-butan-2-yl-3-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]guanidine
SMILESCCN/C(=N\Cc1cccc(OC)n1)NC(C)CC
InChIInChI=1S/C14H24N4O/c1-5-11(3)17-14(15-6-2)16-10-12-8-7-9-13(18-12)19-4/h7-9,11H,5-6,10H2,1-4H3,(H2,15,16,17)
InChIKeyJOJCHUSBPSPXKL-UHFFFAOYSA-N
XLogP1.94
TPSA58.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.94
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-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]-3-(1-phenylethyl)guanidine
CID 110948474
1-butan-2-yl-2-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-ethylguanidine
CID 109400599
1-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]-3-(4-methylpentyl)guanidine;hydroiodide
CID 111943648
1-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]-3-prop-2-enylguanidine
CID 110980703
1-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111317772
1-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]-3-(4-methylsulfanylbutyl)guanidine
CID 111628288
1-ethyl-3-(2-methoxy-3,3-dimethylbutyl)-2-[(6-methoxy-2-pyridinyl)methyl]guanidine;hydroiodide
CID 111710756
1-(3-ethoxypropyl)-3-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]guanidine;hydroiodide
CID 111223374
1-ethyl-3-[2-(2-hydroxyethyl)pentyl]-2-[(6-methoxy-2-pyridinyl)methyl]guanidine;hydroiodide
CID 111712840
1-ethyl-3-[2-(2-fluorophenoxy)propyl]-2-[(6-methoxy-2-pyridinyl)methyl]guanidine;hydroiodide
CID 111684529
N-ethyl-N'-[(6-methoxy-2-pyridinyl)methyl]pyrrolidine-1-carboximidamide
CID 110955578
1-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-[(6-methoxy-2-pyridinyl)methyl]guanidine
CID 111362133

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]guanidine?
The IUPAC name of 1-butan-2-yl-3-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]guanidine (CID 110943978) is 1-butan-2-yl-3-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]guanidine.
What is the SMILES notation for 1-butan-2-yl-3-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]guanidine?
The canonical SMILES for 1-butan-2-yl-3-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]guanidine is CCN/C(=N\Cc1cccc(OC)n1)NC(C)CC.
What is the InChIKey of 1-butan-2-yl-3-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]guanidine?
The InChIKey is JOJCHUSBPSPXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-5-11(3)17-14(15-6-2)16-10-12-8-7-9-13(18-12)19-4/h7-9,11H,5-6,10H2,1-4H3,(H2,15,16,17).
What are the key properties of 1-butan-2-yl-3-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]guanidine?
1-butan-2-yl-3-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]guanidine has a molecular weight of 264.37 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]guanidine is sourced from PubChem (CID 110943978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).