1-(3-methylbutyl)-2-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine

C19H26N4O — CID 111050442

IUPAC1-(3-methylbutyl)-2-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine
SMILESCC(C)CCN/C(N)=N/Cc1ccnc(OCc2ccccc2)c1
InChIInChI=1S/C19H26N4O/c1-15(2)8-10-22-19(20)23-13-17-9-11-21-18(12-17)24-14-16-6-4-3-5-7-16/h3-7,9,11-12,15H,8,10,13-14H2,1-2H3,(H3,20,22,23)
InChIKeyREISKGMJDUTJPF-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.11
Rot. Bonds8

About 1-(3-methylbutyl)-2-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine

1-(3-methylbutyl)-2-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine (PubChem CID 111050442) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-(3-methylbutyl)-2-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine.

Molecular Properties

Compound Name1-(3-methylbutyl)-2-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine
PubChem CID111050442
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name1-(3-methylbutyl)-2-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine
SMILESCC(C)CCN/C(N)=N/Cc1ccnc(OCc2ccccc2)c1
InChIInChI=1S/C19H26N4O/c1-15(2)8-10-22-19(20)23-13-17-9-11-21-18(12-17)24-14-16-6-4-3-5-7-16/h3-7,9,11-12,15H,8,10,13-14H2,1-2H3,(H3,20,22,23)
InChIKeyREISKGMJDUTJPF-UHFFFAOYSA-N
XLogP3.11
TPSA72.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.11
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-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine;hydroiodide
CID 111050513
1-(4-ethylphenyl)-2-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine
CID 111050472
2-[(3-ethoxyphenyl)methyl]-1-(3-methylbutyl)guanidine
CID 111049424
1-(3-methoxyphenyl)-2-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine;hydroiodide
CID 111050435
1-(3-methylbutyl)-2-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]guanidine
CID 111096635
1-(3-methylbutyl)-2-[(3-methylphenyl)methyl]guanidine;hydroiodide
CID 111046250
1-(3-methylbutyl)-2-(pyridin-3-ylmethyl)guanidine;hydroiodide
CID 111023317
1-(2,5-diethoxyphenyl)-2-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine;hydroiodide
CID 111050501
2-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-(2-phenylethyl)guanidine
CID 111049928
1-butyl-2-[(2-methoxy-4-pyridinyl)methyl]guanidine
CID 111041567
2-[(2-methoxy-4-pyridinyl)methyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide
CID 111041582
1-(3-methylbutyl)-2-[[3-(oxan-4-yloxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111808625

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutyl)-2-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine?
The IUPAC name of 1-(3-methylbutyl)-2-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine (CID 111050442) is 1-(3-methylbutyl)-2-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine.
What is the SMILES notation for 1-(3-methylbutyl)-2-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine?
The canonical SMILES for 1-(3-methylbutyl)-2-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine is CC(C)CCN/C(N)=N/Cc1ccnc(OCc2ccccc2)c1.
What is the InChIKey of 1-(3-methylbutyl)-2-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine?
The InChIKey is REISKGMJDUTJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-15(2)8-10-22-19(20)23-13-17-9-11-21-18(12-17)24-14-16-6-4-3-5-7-16/h3-7,9,11-12,15H,8,10,13-14H2,1-2H3,(H3,20,22,23).
What are the key properties of 1-(3-methylbutyl)-2-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine?
1-(3-methylbutyl)-2-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine has a molecular weight of 326.44 g/mol, XLogP of 3.11, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutyl)-2-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine is sourced from PubChem (CID 111050442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).