2-[(2-cyclobutyloxyphenyl)methyl]-1-cyclopentyl-3-ethylguanidine

C19H29N3O — CID 111791028

IUPAC2-[(2-cyclobutyloxyphenyl)methyl]-1-cyclopentyl-3-ethylguanidine
SMILESCCN/C(=N\Cc1ccccc1OC1CCC1)NC1CCCC1
InChIInChI=1S/C19H29N3O/c1-2-20-19(22-16-9-4-5-10-16)21-14-15-8-3-6-13-18(15)23-17-11-7-12-17/h3,6,8,13,16-17H,2,4-5,7,9-12,14H2,1H3,(H2,20,21,22)
InChIKeyBRFJXQUTTRBTFH-UHFFFAOYSA-N
MW315.46 g/mol
LogP3.62
Rot. Bonds6

About 2-[(2-cyclobutyloxyphenyl)methyl]-1-cyclopentyl-3-ethylguanidine

2-[(2-cyclobutyloxyphenyl)methyl]-1-cyclopentyl-3-ethylguanidine (PubChem CID 111791028) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is 2-[(2-cyclobutyloxyphenyl)methyl]-1-cyclopentyl-3-ethylguanidine.

Molecular Properties

Compound Name2-[(2-cyclobutyloxyphenyl)methyl]-1-cyclopentyl-3-ethylguanidine
PubChem CID111791028
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name2-[(2-cyclobutyloxyphenyl)methyl]-1-cyclopentyl-3-ethylguanidine
SMILESCCN/C(=N\Cc1ccccc1OC1CCC1)NC1CCCC1
InChIInChI=1S/C19H29N3O/c1-2-20-19(22-16-9-4-5-10-16)21-14-15-8-3-6-13-18(15)23-17-11-7-12-17/h3,6,8,13,16-17H,2,4-5,7,9-12,14H2,1H3,(H2,20,21,22)
InChIKeyBRFJXQUTTRBTFH-UHFFFAOYSA-N
XLogP3.62
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[(2-cyclobutyloxyphenyl)methyl]-1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111795755
2-[(2-cyclopentyloxyphenyl)methyl]-1-ethyl-3-propan-2-ylguanidine
CID 111127294
2-[(2-cyclobutyloxyphenyl)methyl]-1-ethyl-3-propylguanidine
CID 111625952
2-[(2-cyclobutyloxyphenyl)methyl]-1-ethyl-3-(3-ethylsulfinylcyclohexyl)guanidine;hydroiodide
CID 109441344
2-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]-1-cyclopropyl-3-ethylguanidine;hydroiodide
CID 111564117
2-[(2-cyclobutyloxyphenyl)methyl]-1-ethyl-3-(2-methoxyethyl)guanidine
CID 111625872
1-butyl-2-[(2-cyclobutyloxyphenyl)methyl]-3-ethylguanidine;hydroiodide
CID 111625927
2-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-1-cyclopropyl-3-ethylguanidine;hydroiodide
CID 111963778
2-[(2-cyclopentyloxyphenyl)methyl]-1-ethyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109474276
N-[2-[[N'-[(2-cyclopentyloxyphenyl)methyl]-N-ethylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111928033
1-cyclohexyl-3-ethyl-2-[[2-(hydroxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 110959406
1-ethyl-3-(4-hydroxycyclohexyl)-2-[(2-methoxyphenyl)methyl]guanidine
CID 111189862

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclobutyloxyphenyl)methyl]-1-cyclopentyl-3-ethylguanidine?
The IUPAC name of 2-[(2-cyclobutyloxyphenyl)methyl]-1-cyclopentyl-3-ethylguanidine (CID 111791028) is 2-[(2-cyclobutyloxyphenyl)methyl]-1-cyclopentyl-3-ethylguanidine.
What is the SMILES notation for 2-[(2-cyclobutyloxyphenyl)methyl]-1-cyclopentyl-3-ethylguanidine?
The canonical SMILES for 2-[(2-cyclobutyloxyphenyl)methyl]-1-cyclopentyl-3-ethylguanidine is CCN/C(=N\Cc1ccccc1OC1CCC1)NC1CCCC1.
What is the InChIKey of 2-[(2-cyclobutyloxyphenyl)methyl]-1-cyclopentyl-3-ethylguanidine?
The InChIKey is BRFJXQUTTRBTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-2-20-19(22-16-9-4-5-10-16)21-14-15-8-3-6-13-18(15)23-17-11-7-12-17/h3,6,8,13,16-17H,2,4-5,7,9-12,14H2,1H3,(H2,20,21,22).
What are the key properties of 2-[(2-cyclobutyloxyphenyl)methyl]-1-cyclopentyl-3-ethylguanidine?
2-[(2-cyclobutyloxyphenyl)methyl]-1-cyclopentyl-3-ethylguanidine has a molecular weight of 315.46 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclobutyloxyphenyl)methyl]-1-cyclopentyl-3-ethylguanidine is sourced from PubChem (CID 111791028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).