1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methyl-3-(2-phenylethyl)guanidine

C17H28N4 — CID 111134879

IUPAC1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methyl-3-(2-phenylethyl)guanidine
SMILESCCN(CCN/C(=N\C)NCCc1ccccc1)C1CC1
InChIInChI=1S/C17H28N4/c1-3-21(16-9-10-16)14-13-20-17(18-2)19-12-11-15-7-5-4-6-8-15/h4-8,16H,3,9-14H2,1-2H3,(H2,18,19,20)
InChIKeyOTKVNWKGFSEQAL-UHFFFAOYSA-N
MW288.44 g/mol
LogP1.88
Rot. Bonds8

About 1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methyl-3-(2-phenylethyl)guanidine

1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methyl-3-(2-phenylethyl)guanidine (PubChem CID 111134879) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methyl-3-(2-phenylethyl)guanidine.

Molecular Properties

Compound Name1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methyl-3-(2-phenylethyl)guanidine
PubChem CID111134879
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methyl-3-(2-phenylethyl)guanidine
SMILESCCN(CCN/C(=N\C)NCCc1ccccc1)C1CC1
InChIInChI=1S/C17H28N4/c1-3-21(16-9-10-16)14-13-20-17(18-2)19-12-11-15-7-5-4-6-8-15/h4-8,16H,3,9-14H2,1-2H3,(H2,18,19,20)
InChIKeyOTKVNWKGFSEQAL-UHFFFAOYSA-N
XLogP1.88
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 51.88
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-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methyl-3-(4-phenylbutan-2-yl)guanidine
CID 111172033
1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-[2-(3-fluorophenyl)ethyl]-2-methylguanidine
CID 111395753
1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methyl-3-[2-[4-(trifluoromethyl)phenyl]ethyl]guanidine
CID 111295887
3-[2-[[N-[2-[cyclopropyl(ethyl)amino]ethyl]-N'-methylcarbamimidoyl]amino]ethyl]-N-methylbenzamide;hydroiodide
CID 111634422
1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-ethyl-2-(3-phenylpropyl)guanidine
CID 111199136
1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-[2-(3-methoxy-4-methylphenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111590121
1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine
CID 110996781
1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-(furan-2-ylmethyl)-2-methylguanidine
CID 56801277
1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-(cyclopropylmethyl)-2-methylguanidine
CID 111869610
1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methyl-3-(3-methylbutyl)guanidine
CID 110978705
1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111934821
2-benzyl-3-[2-[cyclopropyl(ethyl)amino]ethyl]-1,1-dimethylguanidine
CID 111096553

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methyl-3-(2-phenylethyl)guanidine?
The IUPAC name of 1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methyl-3-(2-phenylethyl)guanidine (CID 111134879) is 1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methyl-3-(2-phenylethyl)guanidine.
What is the SMILES notation for 1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methyl-3-(2-phenylethyl)guanidine?
The canonical SMILES for 1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methyl-3-(2-phenylethyl)guanidine is CCN(CCN/C(=N\C)NCCc1ccccc1)C1CC1.
What is the InChIKey of 1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methyl-3-(2-phenylethyl)guanidine?
The InChIKey is OTKVNWKGFSEQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-3-21(16-9-10-16)14-13-20-17(18-2)19-12-11-15-7-5-4-6-8-15/h4-8,16H,3,9-14H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methyl-3-(2-phenylethyl)guanidine?
1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methyl-3-(2-phenylethyl)guanidine has a molecular weight of 288.44 g/mol, XLogP of 1.88, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methyl-3-(2-phenylethyl)guanidine is sourced from PubChem (CID 111134879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).