1-hexyl-3-[(6-methoxy-3-pyridinyl)methyl]-2-methylguanidine

C15H26N4O — CID 111161885

IUPAC1-hexyl-3-[(6-methoxy-3-pyridinyl)methyl]-2-methylguanidine
SMILESCCCCCCN/C(=N\C)NCc1ccc(OC)nc1
InChIInChI=1S/C15H26N4O/c1-4-5-6-7-10-17-15(16-2)19-12-13-8-9-14(20-3)18-11-13/h8-9,11H,4-7,10,12H2,1-3H3,(H2,16,17,19)
InChIKeyMSFUTXGIBGGTHS-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.34
Rot. Bonds8

About 1-hexyl-3-[(6-methoxy-3-pyridinyl)methyl]-2-methylguanidine

1-hexyl-3-[(6-methoxy-3-pyridinyl)methyl]-2-methylguanidine (PubChem CID 111161885) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-hexyl-3-[(6-methoxy-3-pyridinyl)methyl]-2-methylguanidine.

Molecular Properties

Compound Name1-hexyl-3-[(6-methoxy-3-pyridinyl)methyl]-2-methylguanidine
PubChem CID111161885
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name1-hexyl-3-[(6-methoxy-3-pyridinyl)methyl]-2-methylguanidine
SMILESCCCCCCN/C(=N\C)NCc1ccc(OC)nc1
InChIInChI=1S/C15H26N4O/c1-4-5-6-7-10-17-15(16-2)19-12-13-8-9-14(20-3)18-11-13/h8-9,11H,4-7,10,12H2,1-3H3,(H2,16,17,19)
InChIKeyMSFUTXGIBGGTHS-UHFFFAOYSA-N
XLogP2.34
TPSA58.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-hexyl-3-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methylguanidine;hydroiodide
CID 111161926
1-(3-ethoxypropyl)-3-[(6-methoxy-3-pyridinyl)methyl]-2-methylguanidine;hydroiodide
CID 111222146
1-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-3-(4-methylpentyl)guanidine;hydroiodide
CID 111943028
1-butyl-3-[[6-(2,6-dimethoxyphenoxy)-3-pyridinyl]methyl]-2-methylguanidine
CID 111151440
1-benzyl-3-[(6-methoxy-3-pyridinyl)methyl]-2-methylguanidine
CID 110954680
1-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-3-[3-(2-methylpropoxy)propyl]guanidine
CID 111401027
1-(3-cyclopentylpropyl)-3-[(6-methoxy-3-pyridinyl)methyl]-2-methylguanidine
CID 111946769
1-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 111344354
1-butyl-3-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-methylguanidine
CID 111149946
1-(3-butoxypropyl)-3-[[6-(4-methoxyphenoxy)-3-pyridinyl]methyl]-2-methylguanidine
CID 111238669
1-[(4-methoxyphenyl)methyl]-3-[(6-methoxy-3-pyridinyl)methyl]-2-methylguanidine;hydroiodide
CID 111183561
1-butyl-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-methylguanidine
CID 111150030

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-3-[(6-methoxy-3-pyridinyl)methyl]-2-methylguanidine?
The IUPAC name of 1-hexyl-3-[(6-methoxy-3-pyridinyl)methyl]-2-methylguanidine (CID 111161885) is 1-hexyl-3-[(6-methoxy-3-pyridinyl)methyl]-2-methylguanidine.
What is the SMILES notation for 1-hexyl-3-[(6-methoxy-3-pyridinyl)methyl]-2-methylguanidine?
The canonical SMILES for 1-hexyl-3-[(6-methoxy-3-pyridinyl)methyl]-2-methylguanidine is CCCCCCN/C(=N\C)NCc1ccc(OC)nc1.
What is the InChIKey of 1-hexyl-3-[(6-methoxy-3-pyridinyl)methyl]-2-methylguanidine?
The InChIKey is MSFUTXGIBGGTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-4-5-6-7-10-17-15(16-2)19-12-13-8-9-14(20-3)18-11-13/h8-9,11H,4-7,10,12H2,1-3H3,(H2,16,17,19).
What are the key properties of 1-hexyl-3-[(6-methoxy-3-pyridinyl)methyl]-2-methylguanidine?
1-hexyl-3-[(6-methoxy-3-pyridinyl)methyl]-2-methylguanidine has a molecular weight of 278.40 g/mol, XLogP of 2.34, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-3-[(6-methoxy-3-pyridinyl)methyl]-2-methylguanidine is sourced from PubChem (CID 111161885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).