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

C10H16N4O — CID 111108995

IUPAC2-[(6-propoxy-3-pyridinyl)methyl]guanidine
SMILESCCCOc1ccc(CN=C(N)N)cn1
InChIInChI=1S/C10H16N4O/c1-2-5-15-9-4-3-8(6-13-9)7-14-10(11)12/h3-4,6H,2,5,7H2,1H3,(H4,11,12,14)
InChIKeySJYKQHPURXVZCC-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.64
Rot. Bonds5

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

2-[(6-propoxy-3-pyridinyl)methyl]guanidine (PubChem CID 111108995) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-[(6-propoxy-3-pyridinyl)methyl]guanidine.

Molecular Properties

Compound Name2-[(6-propoxy-3-pyridinyl)methyl]guanidine
PubChem CID111108995
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name2-[(6-propoxy-3-pyridinyl)methyl]guanidine
SMILESCCCOc1ccc(CN=C(N)N)cn1
InChIInChI=1S/C10H16N4O/c1-2-5-15-9-4-3-8(6-13-9)7-14-10(11)12/h3-4,6H,2,5,7H2,1H3,(H4,11,12,14)
InChIKeySJYKQHPURXVZCC-UHFFFAOYSA-N
XLogP0.64
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.64
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-propoxy-3-pyridinyl)methyl]guanidine
CID 111804468
N'-[(6-propoxy-3-pyridinyl)methyl]thiomorpholine-4-carboximidamide
CID 111804494
1-(3,4-dimethylphenyl)-2-[(6-propoxy-3-pyridinyl)methyl]guanidine
CID 111804450
2-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]guanidine
CID 110917758
1-(3-methoxyphenyl)-2-[(6-propoxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111804523
1-(3-propan-2-ylphenyl)-2-[(6-propoxy-3-pyridinyl)methyl]guanidine
CID 111804462
1-(3-propan-2-ylphenyl)-2-[(6-propoxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111804461
1-ethyl-3-(3-methylbutyl)-2-[(6-propoxy-3-pyridinyl)methyl]guanidine
CID 111548249
2-[(6-cyclopentyloxy-3-pyridinyl)methyl]guanidine
CID 110916197
1-butyl-2-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]guanidine
CID 111061031
4-acetyl-N-ethyl-N'-[(6-propoxy-3-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111547014
2-[(6-methoxy-3-pyridinyl)methyl]-1-propylguanidine;hydroiodide
CID 110924455

Frequently Asked Questions

What is the IUPAC name of 2-[(6-propoxy-3-pyridinyl)methyl]guanidine?
The IUPAC name of 2-[(6-propoxy-3-pyridinyl)methyl]guanidine (CID 111108995) is 2-[(6-propoxy-3-pyridinyl)methyl]guanidine.
What is the SMILES notation for 2-[(6-propoxy-3-pyridinyl)methyl]guanidine?
The canonical SMILES for 2-[(6-propoxy-3-pyridinyl)methyl]guanidine is CCCOc1ccc(CN=C(N)N)cn1.
What is the InChIKey of 2-[(6-propoxy-3-pyridinyl)methyl]guanidine?
The InChIKey is SJYKQHPURXVZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-2-5-15-9-4-3-8(6-13-9)7-14-10(11)12/h3-4,6H,2,5,7H2,1H3,(H4,11,12,14).
What are the key properties of 2-[(6-propoxy-3-pyridinyl)methyl]guanidine?
2-[(6-propoxy-3-pyridinyl)methyl]guanidine has a molecular weight of 208.26 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-propoxy-3-pyridinyl)methyl]guanidine is sourced from PubChem (CID 111108995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).