2-benzyl-3-[2-[cyclopropyl(ethyl)amino]ethyl]-1,1-dimethylguanidine

C17H28N4 — CID 111096553

IUPAC2-benzyl-3-[2-[cyclopropyl(ethyl)amino]ethyl]-1,1-dimethylguanidine
SMILESCCN(CCN/C(=N/Cc1ccccc1)N(C)C)C1CC1
InChIInChI=1S/C17H28N4/c1-4-21(16-10-11-16)13-12-18-17(20(2)3)19-14-15-8-6-5-7-9-15/h5-9,16H,4,10-14H2,1-3H3,(H,18,19)
InChIKeyGCAVAJXVWNVIKW-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.18
Rot. Bonds7

About 2-benzyl-3-[2-[cyclopropyl(ethyl)amino]ethyl]-1,1-dimethylguanidine

2-benzyl-3-[2-[cyclopropyl(ethyl)amino]ethyl]-1,1-dimethylguanidine (PubChem CID 111096553) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-benzyl-3-[2-[cyclopropyl(ethyl)amino]ethyl]-1,1-dimethylguanidine.

Molecular Properties

Compound Name2-benzyl-3-[2-[cyclopropyl(ethyl)amino]ethyl]-1,1-dimethylguanidine
PubChem CID111096553
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name2-benzyl-3-[2-[cyclopropyl(ethyl)amino]ethyl]-1,1-dimethylguanidine
SMILESCCN(CCN/C(=N/Cc1ccccc1)N(C)C)C1CC1
InChIInChI=1S/C17H28N4/c1-4-21(16-10-11-16)13-12-18-17(20(2)3)19-14-15-8-6-5-7-9-15/h5-9,16H,4,10-14H2,1-3H3,(H,18,19)
InChIKeyGCAVAJXVWNVIKW-UHFFFAOYSA-N
XLogP2.18
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.18
H-Bond Donors ≤ 51
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-benzyl-3-[2-[ethyl(propyl)amino]ethyl]-1,1-dimethylguanidine
CID 111600570
2-benzyl-3-[4-(diethylamino)butyl]-1,1-dimethylguanidine
CID 111060043
2-benzyl-1,1-dimethyl-3-(2-phenylethyl)guanidine
CID 111022931
1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methyl-3-(2-phenylethyl)guanidine
CID 111134879
1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-ethyl-2-(3-phenylpropyl)guanidine
CID 111199136
2-benzyl-1,1-dimethyl-3-[2-(1-methylpiperidin-4-yl)ethyl]guanidine;hydroiodide
CID 111085476
3-[(N'-benzyl-N,N-dimethylcarbamimidoyl)amino]-N,N-dimethylpropanamide
CID 111068269
2-benzyl-1,1-dimethyl-3-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
CID 111057756
2-benzyl-1,1-dimethyl-3-(3-methylsulfanylpropyl)guanidine
CID 111492828
2-benzyl-1,1-dimethyl-3-pent-3-enylguanidine
CID 111587965
2-benzyl-1,1-dimethyl-3-(4-phenylmethoxybutyl)guanidine
CID 111093695
3-[2-[cyclopropyl(ethyl)amino]ethyl]-1,2-dimethyl-1-[(2-methylphenyl)methyl]guanidine;hydroiodide
CID 111287484

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-[2-[cyclopropyl(ethyl)amino]ethyl]-1,1-dimethylguanidine?
The IUPAC name of 2-benzyl-3-[2-[cyclopropyl(ethyl)amino]ethyl]-1,1-dimethylguanidine (CID 111096553) is 2-benzyl-3-[2-[cyclopropyl(ethyl)amino]ethyl]-1,1-dimethylguanidine.
What is the SMILES notation for 2-benzyl-3-[2-[cyclopropyl(ethyl)amino]ethyl]-1,1-dimethylguanidine?
The canonical SMILES for 2-benzyl-3-[2-[cyclopropyl(ethyl)amino]ethyl]-1,1-dimethylguanidine is CCN(CCN/C(=N/Cc1ccccc1)N(C)C)C1CC1.
What is the InChIKey of 2-benzyl-3-[2-[cyclopropyl(ethyl)amino]ethyl]-1,1-dimethylguanidine?
The InChIKey is GCAVAJXVWNVIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-4-21(16-10-11-16)13-12-18-17(20(2)3)19-14-15-8-6-5-7-9-15/h5-9,16H,4,10-14H2,1-3H3,(H,18,19).
What are the key properties of 2-benzyl-3-[2-[cyclopropyl(ethyl)amino]ethyl]-1,1-dimethylguanidine?
2-benzyl-3-[2-[cyclopropyl(ethyl)amino]ethyl]-1,1-dimethylguanidine has a molecular weight of 288.44 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-[2-[cyclopropyl(ethyl)amino]ethyl]-1,1-dimethylguanidine is sourced from PubChem (CID 111096553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).