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

C11H16N4O — CID 110917758

IUPAC2-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]guanidine
SMILESNC(N)=NCc1ccc(OCC2CC2)nc1
InChIInChI=1S/C11H16N4O/c12-11(13)15-6-9-3-4-10(14-5-9)16-7-8-1-2-8/h3-5,8H,1-2,6-7H2,(H4,12,13,15)
InChIKeyFADSQSVUDFLNEC-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.64
Rot. Bonds5

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

2-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]guanidine (PubChem CID 110917758) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 2-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]guanidine.

Molecular Properties

Compound Name2-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]guanidine
PubChem CID110917758
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name2-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]guanidine
SMILESNC(N)=NCc1ccc(OCC2CC2)nc1
InChIInChI=1S/C11H16N4O/c12-11(13)15-6-9-3-4-10(14-5-9)16-7-8-1-2-8/h3-5,8H,1-2,6-7H2,(H4,12,13,15)
InChIKeyFADSQSVUDFLNEC-UHFFFAOYSA-N
XLogP0.64
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
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

2-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1,3-diethylguanidine
CID 110917760
1-butyl-2-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]guanidine
CID 111086403
2-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1,3-diethylguanidine;hydroiodide
CID 110917759
2-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111086466
2-[(6-cyclopentyloxy-3-pyridinyl)methyl]guanidine
CID 110916197
2-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1-(cyclopropylmethyl)-3-ethylguanidine
CID 111868456
2-[(6-propoxy-3-pyridinyl)methyl]guanidine
CID 111108995
tert-butyl 4-[N'-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]carbamimidoyl]piperazine-1-carboxylate
CID 111086455
1-tert-butyl-2-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-3-ethylguanidine;hydroiodide
CID 110965092
2-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1-ethyl-3-[(4-fluorophenyl)methyl]guanidine
CID 111232155
1-butyl-2-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-3-ethyl-1-methylguanidine;hydroiodide
CID 111158268
2-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1-ethyl-3-[(4-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111181554

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]guanidine?
The IUPAC name of 2-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]guanidine (CID 110917758) is 2-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]guanidine.
What is the SMILES notation for 2-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]guanidine?
The canonical SMILES for 2-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]guanidine is NC(N)=NCc1ccc(OCC2CC2)nc1.
What is the InChIKey of 2-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]guanidine?
The InChIKey is FADSQSVUDFLNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c12-11(13)15-6-9-3-4-10(14-5-9)16-7-8-1-2-8/h3-5,8H,1-2,6-7H2,(H4,12,13,15).
What are the key properties of 2-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]guanidine?
2-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]guanidine has a molecular weight of 220.28 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-(cyclopropylmethoxy)-3-pyridinyl]methyl]guanidine is sourced from PubChem (CID 110917758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).