1-(cyclobutylmethyl)-2-[[1-(3-methoxyphenyl)cyclopentyl]methyl]guanidine

C19H29N3O — CID 111807364

IUPAC1-(cyclobutylmethyl)-2-[[1-(3-methoxyphenyl)cyclopentyl]methyl]guanidine
SMILESCOc1cccc(C2(C/N=C(\N)NCC3CCC3)CCCC2)c1
InChIInChI=1S/C19H29N3O/c1-23-17-9-5-8-16(12-17)19(10-2-3-11-19)14-22-18(20)21-13-15-6-4-7-15/h5,8-9,12,15H,2-4,6-7,10-11,13-14H2,1H3,(H3,20,21,22)
InChIKeyBJFYUGAWJSCZHU-UHFFFAOYSA-N
MW315.46 g/mol
LogP3.21
Rot. Bonds6

About 1-(cyclobutylmethyl)-2-[[1-(3-methoxyphenyl)cyclopentyl]methyl]guanidine

1-(cyclobutylmethyl)-2-[[1-(3-methoxyphenyl)cyclopentyl]methyl]guanidine (PubChem CID 111807364) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-2-[[1-(3-methoxyphenyl)cyclopentyl]methyl]guanidine.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-2-[[1-(3-methoxyphenyl)cyclopentyl]methyl]guanidine
PubChem CID111807364
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name1-(cyclobutylmethyl)-2-[[1-(3-methoxyphenyl)cyclopentyl]methyl]guanidine
SMILESCOc1cccc(C2(C/N=C(\N)NCC3CCC3)CCCC2)c1
InChIInChI=1S/C19H29N3O/c1-23-17-9-5-8-16(12-17)19(10-2-3-11-19)14-22-18(20)21-13-15-6-4-7-15/h5,8-9,12,15H,2-4,6-7,10-11,13-14H2,1H3,(H3,20,21,22)
InChIKeyBJFYUGAWJSCZHU-UHFFFAOYSA-N
XLogP3.21
TPSA59.64 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 ≤ 53.21
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-[[1-(3-methoxyphenyl)cyclopentyl]methyl]-1-(2-methylpropyl)guanidine;hydroiodide
CID 111807333
1-cyclopropyl-2-[[1-(3-methoxyphenyl)cyclopentyl]methyl]-1-methylguanidine;hydroiodide
CID 110031168
1-(cyclobutylmethyl)-2-[[1-(4-fluorophenyl)cyclobutyl]methyl]guanidine;hydroiodide
CID 111091583
1-(cyclobutylmethyl)-2-[2-hydroxy-2-(3-methoxyphenyl)ethyl]guanidine
CID 111803150
2-[[1-(4-fluorophenyl)cyclopentyl]methyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111068051
2-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-1-propylguanidine
CID 111081352
N'-[[1-(3-methoxyphenyl)cyclopentyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111807341
2-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]-1-(2-methoxyethyl)guanidine
CID 111335934
2-[[1-(3-fluorophenyl)cyclopropyl]methyl]-1-(3-methoxyphenyl)guanidine
CID 119148133
2-[[1-(3-fluorophenyl)cyclohexyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide
CID 110926714
1-(cyclobutylmethyl)-2-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]guanidine;hydrobromide
CID 167902962
N-[(3-hydroxycyclohexyl)methyl]-1-(3-methoxyphenyl)cyclopentane-1-carboxamide
CID 111460242

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-2-[[1-(3-methoxyphenyl)cyclopentyl]methyl]guanidine?
The IUPAC name of 1-(cyclobutylmethyl)-2-[[1-(3-methoxyphenyl)cyclopentyl]methyl]guanidine (CID 111807364) is 1-(cyclobutylmethyl)-2-[[1-(3-methoxyphenyl)cyclopentyl]methyl]guanidine.
What is the SMILES notation for 1-(cyclobutylmethyl)-2-[[1-(3-methoxyphenyl)cyclopentyl]methyl]guanidine?
The canonical SMILES for 1-(cyclobutylmethyl)-2-[[1-(3-methoxyphenyl)cyclopentyl]methyl]guanidine is COc1cccc(C2(C/N=C(\N)NCC3CCC3)CCCC2)c1.
What is the InChIKey of 1-(cyclobutylmethyl)-2-[[1-(3-methoxyphenyl)cyclopentyl]methyl]guanidine?
The InChIKey is BJFYUGAWJSCZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-23-17-9-5-8-16(12-17)19(10-2-3-11-19)14-22-18(20)21-13-15-6-4-7-15/h5,8-9,12,15H,2-4,6-7,10-11,13-14H2,1H3,(H3,20,21,22).
What are the key properties of 1-(cyclobutylmethyl)-2-[[1-(3-methoxyphenyl)cyclopentyl]methyl]guanidine?
1-(cyclobutylmethyl)-2-[[1-(3-methoxyphenyl)cyclopentyl]methyl]guanidine has a molecular weight of 315.46 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-2-[[1-(3-methoxyphenyl)cyclopentyl]methyl]guanidine is sourced from PubChem (CID 111807364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).