1-(1-benzylpyrrolidin-3-yl)-3-cyclobutyl-2-methylguanidine

C17H26N4 — CID 119146341

IUPAC1-(1-benzylpyrrolidin-3-yl)-3-cyclobutyl-2-methylguanidine
SMILESC/N=C(\NC1CCC1)NC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C17H26N4/c1-18-17(19-15-8-5-9-15)20-16-10-11-21(13-16)12-14-6-3-2-4-7-14/h2-4,6-7,15-16H,5,8-13H2,1H3,(H2,18,19,20)
InChIKeyKZARRNGLHDGONS-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.98
Rot. Bonds4

About 1-(1-benzylpyrrolidin-3-yl)-3-cyclobutyl-2-methylguanidine

1-(1-benzylpyrrolidin-3-yl)-3-cyclobutyl-2-methylguanidine (PubChem CID 119146341) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-(1-benzylpyrrolidin-3-yl)-3-cyclobutyl-2-methylguanidine.

Molecular Properties

Compound Name1-(1-benzylpyrrolidin-3-yl)-3-cyclobutyl-2-methylguanidine
PubChem CID119146341
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name1-(1-benzylpyrrolidin-3-yl)-3-cyclobutyl-2-methylguanidine
SMILESC/N=C(\NC1CCC1)NC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C17H26N4/c1-18-17(19-15-8-5-9-15)20-16-10-11-21(13-16)12-14-6-3-2-4-7-14/h2-4,6-7,15-16H,5,8-13H2,1H3,(H2,18,19,20)
InChIKeyKZARRNGLHDGONS-UHFFFAOYSA-N
XLogP1.98
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.98
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

1-(1-benzylpiperidin-4-yl)-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 110985898
1-amino-3-(1-benzylpiperidin-3-yl)-2-methylguanidine
CID 116510957
1-(1-benzylpiperidin-3-yl)-3-cyclobutylurea
CID 115617829
1-(1-benzylpiperidin-3-yl)-2-methylguanidine;hydroiodide
CID 84583445
1-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-cyclobutyl-2-methylguanidine
CID 119154102
1-(1-benzylpiperidin-3-yl)-3-ethyl-2-(2-hydroxyethyl)guanidine
CID 111991341
1-cyclobutyl-2-methyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine;hydroiodide
CID 119153797
1-(1-benzylpiperidin-3-yl)-3-(2,3-dihydro-1,4-dioxin-5-ylmethyl)-2-methylguanidine;hydroiodide
CID 75495074
1-(1-benzylpiperidin-4-yl)-2-methyl-3-[(4-methylphenyl)methyl]guanidine;hydroiodide
CID 110986461
1-(1-benzylpiperidin-4-yl)-2-methyl-3-[(1-methylpiperidin-4-yl)methyl]guanidine
CID 110985940
N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
1-(1-benzylpiperidin-4-yl)-2-methyl-3-(3-methyl-2-pyrrolidin-1-ylbutyl)guanidine
CID 110987458

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpyrrolidin-3-yl)-3-cyclobutyl-2-methylguanidine?
The IUPAC name of 1-(1-benzylpyrrolidin-3-yl)-3-cyclobutyl-2-methylguanidine (CID 119146341) is 1-(1-benzylpyrrolidin-3-yl)-3-cyclobutyl-2-methylguanidine.
What is the SMILES notation for 1-(1-benzylpyrrolidin-3-yl)-3-cyclobutyl-2-methylguanidine?
The canonical SMILES for 1-(1-benzylpyrrolidin-3-yl)-3-cyclobutyl-2-methylguanidine is C/N=C(\NC1CCC1)NC1CCN(Cc2ccccc2)C1.
What is the InChIKey of 1-(1-benzylpyrrolidin-3-yl)-3-cyclobutyl-2-methylguanidine?
The InChIKey is KZARRNGLHDGONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-18-17(19-15-8-5-9-15)20-16-10-11-21(13-16)12-14-6-3-2-4-7-14/h2-4,6-7,15-16H,5,8-13H2,1H3,(H2,18,19,20).
What are the key properties of 1-(1-benzylpyrrolidin-3-yl)-3-cyclobutyl-2-methylguanidine?
1-(1-benzylpyrrolidin-3-yl)-3-cyclobutyl-2-methylguanidine has a molecular weight of 286.42 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpyrrolidin-3-yl)-3-cyclobutyl-2-methylguanidine is sourced from PubChem (CID 119146341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).