1-(cyclobutylmethyl)-2-[(1-phenylpyrrolidin-3-yl)methyl]guanidine

C17H26N4 — CID 111065756

IUPAC1-(cyclobutylmethyl)-2-[(1-phenylpyrrolidin-3-yl)methyl]guanidine
SMILESN/C(=N\CC1CCN(c2ccccc2)C1)NCC1CCC1
InChIInChI=1S/C17H26N4/c18-17(19-11-14-5-4-6-14)20-12-15-9-10-21(13-15)16-7-2-1-3-8-16/h1-3,7-8,14-15H,4-6,9-13H2,(H3,18,19,20)
InChIKeyATTMKVKIFUPJIL-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.22
Rot. Bonds5

About 1-(cyclobutylmethyl)-2-[(1-phenylpyrrolidin-3-yl)methyl]guanidine

1-(cyclobutylmethyl)-2-[(1-phenylpyrrolidin-3-yl)methyl]guanidine (PubChem CID 111065756) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-2-[(1-phenylpyrrolidin-3-yl)methyl]guanidine.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-2-[(1-phenylpyrrolidin-3-yl)methyl]guanidine
PubChem CID111065756
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name1-(cyclobutylmethyl)-2-[(1-phenylpyrrolidin-3-yl)methyl]guanidine
SMILESN/C(=N\CC1CCN(c2ccccc2)C1)NCC1CCC1
InChIInChI=1S/C17H26N4/c18-17(19-11-14-5-4-6-14)20-12-15-9-10-21(13-15)16-7-2-1-3-8-16/h1-3,7-8,14-15H,4-6,9-13H2,(H3,18,19,20)
InChIKeyATTMKVKIFUPJIL-UHFFFAOYSA-N
XLogP2.22
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.22
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-phenylpyrrolidin-3-yl)methyl]-1-propylguanidine
CID 111065706
1-(6-methylheptan-2-yl)-2-[(1-phenylpyrrolidin-3-yl)methyl]guanidine
CID 111065722
2-[(1-phenylpyrrolidin-3-yl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 119119120
1-(cyclobutylmethyl)-2-[(1-methylpiperidin-3-yl)methyl]guanidine
CID 111802070
1-(cyclobutylmethyl)-2-[(1-methylpiperidin-3-yl)methyl]guanidine;hydroiodide
CID 111802069
1-(cyclobutylmethyl)-2-[(1-thiophen-2-ylsulfonylpyrrolidin-3-yl)methyl]guanidine
CID 120973103
4-methyl-N'-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1-carboximidamide
CID 110919195
1-cyclopropyl-1-methyl-2-[(1-phenylpyrrolidin-3-yl)methyl]guanidine
CID 110030229
1-(2,5-dimethoxyphenyl)-2-[(1-phenylpyrrolidin-3-yl)methyl]guanidine;hydroiodide
CID 111065745
1-(cyclobutylmethyl)-2-[[4-(2,5-dihydropyrrol-1-yl)phenyl]methyl]guanidine
CID 111816816
2-(cyclobutylmethyl)-1-[(1-methylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111086790
1-cyclopentyl-3-ethyl-2-[(1-phenylpyrrolidin-3-yl)methyl]guanidine
CID 110991739

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-2-[(1-phenylpyrrolidin-3-yl)methyl]guanidine?
The IUPAC name of 1-(cyclobutylmethyl)-2-[(1-phenylpyrrolidin-3-yl)methyl]guanidine (CID 111065756) is 1-(cyclobutylmethyl)-2-[(1-phenylpyrrolidin-3-yl)methyl]guanidine.
What is the SMILES notation for 1-(cyclobutylmethyl)-2-[(1-phenylpyrrolidin-3-yl)methyl]guanidine?
The canonical SMILES for 1-(cyclobutylmethyl)-2-[(1-phenylpyrrolidin-3-yl)methyl]guanidine is N/C(=N\CC1CCN(c2ccccc2)C1)NCC1CCC1.
What is the InChIKey of 1-(cyclobutylmethyl)-2-[(1-phenylpyrrolidin-3-yl)methyl]guanidine?
The InChIKey is ATTMKVKIFUPJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c18-17(19-11-14-5-4-6-14)20-12-15-9-10-21(13-15)16-7-2-1-3-8-16/h1-3,7-8,14-15H,4-6,9-13H2,(H3,18,19,20).
What are the key properties of 1-(cyclobutylmethyl)-2-[(1-phenylpyrrolidin-3-yl)methyl]guanidine?
1-(cyclobutylmethyl)-2-[(1-phenylpyrrolidin-3-yl)methyl]guanidine has a molecular weight of 286.42 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-2-[(1-phenylpyrrolidin-3-yl)methyl]guanidine is sourced from PubChem (CID 111065756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).