1-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-cyclobutyl-2-methylguanidine

C20H30N4 — CID 119154102

IUPAC1-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-cyclobutyl-2-methylguanidine
SMILESC/N=C(\NC1CCC1)NC1CC2CCC(C1)N2Cc1ccccc1
InChIInChI=1S/C20H30N4/c1-21-20(22-16-8-5-9-16)23-17-12-18-10-11-19(13-17)24(18)14-15-6-3-2-4-7-15/h2-4,6-7,16-19H,5,8-14H2,1H3,(H2,21,22,23)
InChIKeyYTASJMRBNPPAKG-UHFFFAOYSA-N
MW326.49 g/mol
LogP2.90
Rot. Bonds4

About 1-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-cyclobutyl-2-methylguanidine

1-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-cyclobutyl-2-methylguanidine (PubChem CID 119154102) has the molecular formula C20H30N4 and a molecular weight of 326.49 g/mol. Its IUPAC name is 1-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-cyclobutyl-2-methylguanidine.

Molecular Properties

Compound Name1-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-cyclobutyl-2-methylguanidine
PubChem CID119154102
Molecular FormulaC20H30N4
Molecular Weight326.49 g/mol
Exact Mass326.25
IUPAC Name1-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-cyclobutyl-2-methylguanidine
SMILESC/N=C(\NC1CCC1)NC1CC2CCC(C1)N2Cc1ccccc1
InChIInChI=1S/C20H30N4/c1-21-20(22-16-8-5-9-16)23-17-12-18-10-11-19(13-17)24(18)14-15-6-3-2-4-7-15/h2-4,6-7,16-19H,5,8-14H2,1H3,(H2,21,22,23)
InChIKeyYTASJMRBNPPAKG-UHFFFAOYSA-N
XLogP2.90
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 52.90
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'}

Analyze 1-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-cyclobutyl-2-methylguanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-benzylpyrrolidin-3-yl)-3-cyclobutyl-2-methylguanidine
CID 119146341
(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)urea
CID 70122183
3-amino-N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)cyclohexane-1-carboxamide
CID 119886001
1-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-ethyl-2-[(1-hydroxycyclopentyl)methyl]guanidine;hydroiodide
CID 111995028
N-[(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl]pyrrolidine-1-carboxamide
CID 1461805
9-benzyl-N-phenyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 141367299
(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octane
CID 67134573
1-[(1S,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]-3-(2-methylpropyl)thiourea
CID 7402504
methyl 3-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)carbamoylamino]piperidine-1-carboxylate
CID 86937356
(2S,4S)-N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-methylpiperidine-4-carboxamide
CID 120636405
1-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine
CID 111994913
2-[[[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-(propylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110041432

Frequently Asked Questions

What is the IUPAC name of 1-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-cyclobutyl-2-methylguanidine?
The IUPAC name of 1-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-cyclobutyl-2-methylguanidine (CID 119154102) is 1-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-cyclobutyl-2-methylguanidine.
What is the SMILES notation for 1-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-cyclobutyl-2-methylguanidine?
The canonical SMILES for 1-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-cyclobutyl-2-methylguanidine is C/N=C(\NC1CCC1)NC1CC2CCC(C1)N2Cc1ccccc1.
What is the InChIKey of 1-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-cyclobutyl-2-methylguanidine?
The InChIKey is YTASJMRBNPPAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4/c1-21-20(22-16-8-5-9-16)23-17-12-18-10-11-19(13-17)24(18)14-15-6-3-2-4-7-15/h2-4,6-7,16-19H,5,8-14H2,1H3,(H2,21,22,23).
What are the key properties of 1-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-cyclobutyl-2-methylguanidine?
1-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-cyclobutyl-2-methylguanidine has a molecular weight of 326.49 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-cyclobutyl-2-methylguanidine is sourced from PubChem (CID 119154102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).