2-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine

C21H26N4O — CID 111050136

IUPAC2-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine
SMILESN/C(=N\Cc1cccnc1OC1CCCC1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C21H26N4O/c22-21(25-18-11-10-15-5-3-6-16(15)13-18)24-14-17-7-4-12-23-20(17)26-19-8-1-2-9-19/h4,7,10-13,19H,1-3,5-6,8-9,14H2,(H3,22,24,25)
InChIKeyXELZMCSGBSEKIH-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.82
Rot. Bonds5

About 2-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine

2-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine (PubChem CID 111050136) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 2-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine.

Molecular Properties

Compound Name2-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine
PubChem CID111050136
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name2-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine
SMILESN/C(=N\Cc1cccnc1OC1CCCC1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C21H26N4O/c22-21(25-18-11-10-15-5-3-6-16(15)13-18)24-14-17-7-4-12-23-20(17)26-19-8-1-2-9-19/h4,7,10-13,19H,1-3,5-6,8-9,14H2,(H3,22,24,25)
InChIKeyXELZMCSGBSEKIH-UHFFFAOYSA-N
XLogP3.82
TPSA72.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.82
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-(2,3-dihydro-1H-inden-5-yl)-2-[(2-ethoxy-3-pyridinyl)methyl]guanidine
CID 111050752
1-(3-chloro-4-methoxyphenyl)-2-[(2-cyclopentyloxy-3-pyridinyl)methyl]guanidine
CID 111050146
1-(2,3-dihydro-1H-inden-5-yl)-2-[(2-ethoxyphenyl)methyl]guanidine
CID 111044310
1-(2,3-dihydro-1H-inden-5-yl)-2-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]guanidine;hydroiodide
CID 119954360
1-(2,3-dihydro-1H-inden-5-yl)-2-[(2-ethoxyphenyl)methyl]guanidine;hydroiodide
CID 111044309
2-(2-cycloheptyloxyethyl)-1-(2,3-dihydro-1H-inden-5-yl)guanidine
CID 111812567
1-(2,3-dihydro-1H-inden-5-yl)-2-[(6-methyl-3-pyridinyl)methyl]guanidine
CID 119118827
2-benzyl-1-(2,3-dihydro-1H-inden-5-yl)guanidine;hydroiodide
CID 111022842
2-(3-cyclohexyloxypropyl)-1-(2,3-dihydro-1H-inden-5-yl)guanidine;hydroiodide
CID 111035501
2-[(2,5-difluorophenyl)methyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine;hydroiodide
CID 111800997
2-(2-cyclopropylethyl)-1-(2,3-dihydro-1H-inden-5-yl)guanidine
CID 111814632
1-(2,3-dihydro-1H-inden-5-yl)-2-[(2,4-dimethoxyphenyl)methyl]guanidine
CID 111044222

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine?
The IUPAC name of 2-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine (CID 111050136) is 2-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine.
What is the SMILES notation for 2-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine?
The canonical SMILES for 2-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine is N/C(=N\Cc1cccnc1OC1CCCC1)Nc1ccc2c(c1)CCC2.
What is the InChIKey of 2-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine?
The InChIKey is XELZMCSGBSEKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c22-21(25-18-11-10-15-5-3-6-16(15)13-18)24-14-17-7-4-12-23-20(17)26-19-8-1-2-9-19/h4,7,10-13,19H,1-3,5-6,8-9,14H2,(H3,22,24,25).
What are the key properties of 2-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine?
2-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine has a molecular weight of 350.47 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine is sourced from PubChem (CID 111050136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).