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

C12H18N4O — CID 110916197

IUPAC2-[(6-cyclopentyloxy-3-pyridinyl)methyl]guanidine
SMILESNC(N)=NCc1ccc(OC2CCCC2)nc1
InChIInChI=1S/C12H18N4O/c13-12(14)16-8-9-5-6-11(15-7-9)17-10-3-1-2-4-10/h5-7,10H,1-4,8H2,(H4,13,14,16)
InChIKeyGLHVRJOBKUZJDP-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.18
Rot. Bonds4

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

2-[(6-cyclopentyloxy-3-pyridinyl)methyl]guanidine (PubChem CID 110916197) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-[(6-cyclopentyloxy-3-pyridinyl)methyl]guanidine.

Molecular Properties

Compound Name2-[(6-cyclopentyloxy-3-pyridinyl)methyl]guanidine
PubChem CID110916197
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name2-[(6-cyclopentyloxy-3-pyridinyl)methyl]guanidine
SMILESNC(N)=NCc1ccc(OC2CCCC2)nc1
InChIInChI=1S/C12H18N4O/c13-12(14)16-8-9-5-6-11(15-7-9)17-10-3-1-2-4-10/h5-7,10H,1-4,8H2,(H4,13,14,16)
InChIKeyGLHVRJOBKUZJDP-UHFFFAOYSA-N
XLogP1.18
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.18
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-tert-butyl-2-[(6-cyclopentyloxy-3-pyridinyl)methyl]guanidine
CID 111050020
1-tert-butyl-2-[(6-cyclopentyloxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111050019
2-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]guanidine
CID 110917758
2-[(4-cyclohexyloxyphenyl)methyl]guanidine
CID 110917755
2-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111049997
2-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1-cyclopropyl-3-ethylguanidine
CID 110987722
N'-[(6-cyclopentyloxy-3-pyridinyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111050076
2-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1-ethyl-3-(2-methylpropyl)guanidine
CID 111178474
2-[(6-propoxy-3-pyridinyl)methyl]guanidine
CID 111108995
N-[(6-cycloheptyloxy-3-pyridinyl)methyl]ethanamine
CID 62298054
2-[(6-cyclohexyloxy-3-pyridinyl)methyl]-1-ethyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine
CID 111524378
2-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1-ethyl-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111137082

Frequently Asked Questions

What is the IUPAC name of 2-[(6-cyclopentyloxy-3-pyridinyl)methyl]guanidine?
The IUPAC name of 2-[(6-cyclopentyloxy-3-pyridinyl)methyl]guanidine (CID 110916197) is 2-[(6-cyclopentyloxy-3-pyridinyl)methyl]guanidine.
What is the SMILES notation for 2-[(6-cyclopentyloxy-3-pyridinyl)methyl]guanidine?
The canonical SMILES for 2-[(6-cyclopentyloxy-3-pyridinyl)methyl]guanidine is NC(N)=NCc1ccc(OC2CCCC2)nc1.
What is the InChIKey of 2-[(6-cyclopentyloxy-3-pyridinyl)methyl]guanidine?
The InChIKey is GLHVRJOBKUZJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c13-12(14)16-8-9-5-6-11(15-7-9)17-10-3-1-2-4-10/h5-7,10H,1-4,8H2,(H4,13,14,16).
What are the key properties of 2-[(6-cyclopentyloxy-3-pyridinyl)methyl]guanidine?
2-[(6-cyclopentyloxy-3-pyridinyl)methyl]guanidine has a molecular weight of 234.30 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-cyclopentyloxy-3-pyridinyl)methyl]guanidine is sourced from PubChem (CID 110916197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).