2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(3-ethylphenyl)guanidine

C17H28N4O — CID 111099248

IUPAC2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(3-ethylphenyl)guanidine
SMILESCCc1cccc(N/C(N)=N/CCN(CCOC)C2CC2)c1
InChIInChI=1S/C17H28N4O/c1-3-14-5-4-6-15(13-14)20-17(18)19-9-10-21(11-12-22-2)16-7-8-16/h4-6,13,16H,3,7-12H2,1-2H3,(H3,18,19,20)
InChIKeyUIHVCZBPKXYNDK-UHFFFAOYSA-N
MW304.44 g/mol
LogP2.09
Rot. Bonds9

About 2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(3-ethylphenyl)guanidine

2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(3-ethylphenyl)guanidine (PubChem CID 111099248) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(3-ethylphenyl)guanidine.

Molecular Properties

Compound Name2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(3-ethylphenyl)guanidine
PubChem CID111099248
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(3-ethylphenyl)guanidine
SMILESCCc1cccc(N/C(N)=N/CCN(CCOC)C2CC2)c1
InChIInChI=1S/C17H28N4O/c1-3-14-5-4-6-15(13-14)20-17(18)19-9-10-21(11-12-22-2)16-7-8-16/h4-6,13,16H,3,7-12H2,1-2H3,(H3,18,19,20)
InChIKeyUIHVCZBPKXYNDK-UHFFFAOYSA-N
XLogP2.09
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(3-propan-2-ylphenyl)guanidine
CID 111099258
1-(3-ethylphenyl)-2-(3-methoxypropyl)guanidine
CID 111023612
1-(4-butan-2-ylphenyl)-2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]guanidine
CID 111099212
2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111096457
1-(3-ethylphenyl)-2-[2-(2-methoxyethoxy)ethyl]guanidine
CID 111069292
2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(2-methoxyphenyl)guanidine
CID 111099208
N-[3-(aminomethyl)phenyl]-3-[cyclopropyl(2-methoxyethyl)amino]propanamide
CID 61453328
2-(2-cycloheptyloxyethyl)-1-(3-ethylphenyl)guanidine;hydroiodide
CID 111812536
2-(3-cyclopentyloxypropyl)-1-(3-ethylphenyl)guanidine
CID 111090001
2-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-1-(3-ethylphenyl)guanidine
CID 111752612
1-(3-ethylphenyl)-2-[2-(3-methoxyphenyl)ethyl]guanidine
CID 111046944
2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(4-methylphenyl)guanidine
CID 111096491

Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(3-ethylphenyl)guanidine?
The IUPAC name of 2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(3-ethylphenyl)guanidine (CID 111099248) is 2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(3-ethylphenyl)guanidine.
What is the SMILES notation for 2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(3-ethylphenyl)guanidine?
The canonical SMILES for 2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(3-ethylphenyl)guanidine is CCc1cccc(N/C(N)=N/CCN(CCOC)C2CC2)c1.
What is the InChIKey of 2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(3-ethylphenyl)guanidine?
The InChIKey is UIHVCZBPKXYNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-3-14-5-4-6-15(13-14)20-17(18)19-9-10-21(11-12-22-2)16-7-8-16/h4-6,13,16H,3,7-12H2,1-2H3,(H3,18,19,20).
What are the key properties of 2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(3-ethylphenyl)guanidine?
2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(3-ethylphenyl)guanidine has a molecular weight of 304.44 g/mol, XLogP of 2.09, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(3-ethylphenyl)guanidine is sourced from PubChem (CID 111099248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).