1-[2-[benzyl(methyl)amino]ethyl]-2-(cyclobutylmethyl)guanidine

C16H26N4 — CID 111078743

IUPAC1-[2-[benzyl(methyl)amino]ethyl]-2-(cyclobutylmethyl)guanidine
SMILESCN(CCN/C(N)=N/CC1CCC1)Cc1ccccc1
InChIInChI=1S/C16H26N4/c1-20(13-15-6-3-2-4-7-15)11-10-18-16(17)19-12-14-8-5-9-14/h2-4,6-7,14H,5,8-13H2,1H3,(H3,17,18,19)
InChIKeyXSZCLQIXNPHLMH-UHFFFAOYSA-N
MW274.41 g/mol
LogP1.82
Rot. Bonds7

About 1-[2-[benzyl(methyl)amino]ethyl]-2-(cyclobutylmethyl)guanidine

1-[2-[benzyl(methyl)amino]ethyl]-2-(cyclobutylmethyl)guanidine (PubChem CID 111078743) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-[2-[benzyl(methyl)amino]ethyl]-2-(cyclobutylmethyl)guanidine.

Molecular Properties

Compound Name1-[2-[benzyl(methyl)amino]ethyl]-2-(cyclobutylmethyl)guanidine
PubChem CID111078743
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name1-[2-[benzyl(methyl)amino]ethyl]-2-(cyclobutylmethyl)guanidine
SMILESCN(CCN/C(N)=N/CC1CCC1)Cc1ccccc1
InChIInChI=1S/C16H26N4/c1-20(13-15-6-3-2-4-7-15)11-10-18-16(17)19-12-14-8-5-9-14/h2-4,6-7,14H,5,8-13H2,1H3,(H3,17,18,19)
InChIKeyXSZCLQIXNPHLMH-UHFFFAOYSA-N
XLogP1.82
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 51.82
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-(cyclobutylmethyl)-1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]guanidine
CID 111752418
3-amino-N-[2-[benzyl(methyl)amino]ethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119862239
1-[2-[benzyl(methyl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine
CID 111078755
N-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]benzamide
CID 111042727
1-[3-[benzyl(methyl)amino]propyl]-2-[(1-ethylpyrrolidin-2-yl)methyl]guanidine
CID 111035045
3-amino-N-[2-[benzyl(methyl)amino]ethyl]cyclopentane-1-carboxamide
CID 119862236
2-(cyclobutylmethyl)-1-[3-(2-phenylethoxy)propyl]guanidine
CID 111074333
2-[2-[benzyl(methyl)amino]ethyl]-1-(2-phenylethyl)guanidine
CID 111078707
2-(cyclobutylmethyl)-1-[2-(2-methylphenyl)ethyl]guanidine;hydroiodide
CID 111031290
1-[2-(benzenesulfonyl)ethyl]-2-(cyclobutylmethyl)guanidine;hydroiodide
CID 111065129
N-[(2-bromophenyl)methyl]-3-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]-N-methylpropanamide
CID 111808102
2-(cyclobutylmethyl)-1-[2-[methyl(propan-2-yl)amino]ethyl]guanidine;hydroiodide
CID 111096600

Frequently Asked Questions

What is the IUPAC name of 1-[2-[benzyl(methyl)amino]ethyl]-2-(cyclobutylmethyl)guanidine?
The IUPAC name of 1-[2-[benzyl(methyl)amino]ethyl]-2-(cyclobutylmethyl)guanidine (CID 111078743) is 1-[2-[benzyl(methyl)amino]ethyl]-2-(cyclobutylmethyl)guanidine.
What is the SMILES notation for 1-[2-[benzyl(methyl)amino]ethyl]-2-(cyclobutylmethyl)guanidine?
The canonical SMILES for 1-[2-[benzyl(methyl)amino]ethyl]-2-(cyclobutylmethyl)guanidine is CN(CCN/C(N)=N/CC1CCC1)Cc1ccccc1.
What is the InChIKey of 1-[2-[benzyl(methyl)amino]ethyl]-2-(cyclobutylmethyl)guanidine?
The InChIKey is XSZCLQIXNPHLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-20(13-15-6-3-2-4-7-15)11-10-18-16(17)19-12-14-8-5-9-14/h2-4,6-7,14H,5,8-13H2,1H3,(H3,17,18,19).
What are the key properties of 1-[2-[benzyl(methyl)amino]ethyl]-2-(cyclobutylmethyl)guanidine?
1-[2-[benzyl(methyl)amino]ethyl]-2-(cyclobutylmethyl)guanidine has a molecular weight of 274.41 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[benzyl(methyl)amino]ethyl]-2-(cyclobutylmethyl)guanidine is sourced from PubChem (CID 111078743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).