2-(2,2-dimethylcyclopropyl)-1-(4-ethylphenyl)guanidine

C14H21N3 — CID 119120242

IUPAC2-(2,2-dimethylcyclopropyl)-1-(4-ethylphenyl)guanidine
SMILESCCc1ccc(N/C(N)=N/C2CC2(C)C)cc1
InChIInChI=1S/C14H21N3/c1-4-10-5-7-11(8-6-10)16-13(15)17-12-9-14(12,2)3/h5-8,12H,4,9H2,1-3H3,(H3,15,16,17)
InChIKeySLKQOKBMWAWNPV-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.77
Rot. Bonds3

About 2-(2,2-dimethylcyclopropyl)-1-(4-ethylphenyl)guanidine

2-(2,2-dimethylcyclopropyl)-1-(4-ethylphenyl)guanidine (PubChem CID 119120242) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-(2,2-dimethylcyclopropyl)-1-(4-ethylphenyl)guanidine.

Molecular Properties

Compound Name2-(2,2-dimethylcyclopropyl)-1-(4-ethylphenyl)guanidine
PubChem CID119120242
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name2-(2,2-dimethylcyclopropyl)-1-(4-ethylphenyl)guanidine
SMILESCCc1ccc(N/C(N)=N/C2CC2(C)C)cc1
InChIInChI=1S/C14H21N3/c1-4-10-5-7-11(8-6-10)16-13(15)17-12-9-14(12,2)3/h5-8,12H,4,9H2,1-3H3,(H3,15,16,17)
InChIKeySLKQOKBMWAWNPV-UHFFFAOYSA-N
XLogP2.77
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-cyclobutyl-1-(4-ethylphenyl)guanidine
CID 119146745
1-(4-ethylphenyl)-2-(3-hydroxycyclobutyl)guanidine
CID 122098269
1-(4-ethylphenyl)-2-(2-methylcyclobutyl)guanidine
CID 120973983
1-(4-ethylphenyl)-2-(2-methylcyclobutyl)guanidine;hydroiodide
CID 120973982
2-[(1R,2S)-2-cyclopropylcyclopropyl]-1-(4-ethylphenyl)guanidine
CID 120666058
2-(3-ethoxyspiro[3.3]heptan-1-yl)-1-(4-ethylphenyl)guanidine
CID 111819858
1-(4-ethylphenyl)-2-(2-propylcyclopropyl)guanidine;hydroiodide
CID 111822782
1-(4-ethylphenyl)-2-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylguanidine
CID 109378029
2-(2-ethyl-2-propan-2-ylcyclopropyl)-1-(4-methoxyphenyl)guanidine
CID 122098457
1-(4-butylphenyl)-2-cyclopropylguanidine
CID 62378914
1-(4-ethylphenyl)-2-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylguanidine;hydroiodide
CID 109394358
1-(4-methoxyphenyl)-2-spiro[2.2]pentan-2-ylguanidine
CID 122125973

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylcyclopropyl)-1-(4-ethylphenyl)guanidine?
The IUPAC name of 2-(2,2-dimethylcyclopropyl)-1-(4-ethylphenyl)guanidine (CID 119120242) is 2-(2,2-dimethylcyclopropyl)-1-(4-ethylphenyl)guanidine.
What is the SMILES notation for 2-(2,2-dimethylcyclopropyl)-1-(4-ethylphenyl)guanidine?
The canonical SMILES for 2-(2,2-dimethylcyclopropyl)-1-(4-ethylphenyl)guanidine is CCc1ccc(N/C(N)=N/C2CC2(C)C)cc1.
What is the InChIKey of 2-(2,2-dimethylcyclopropyl)-1-(4-ethylphenyl)guanidine?
The InChIKey is SLKQOKBMWAWNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-4-10-5-7-11(8-6-10)16-13(15)17-12-9-14(12,2)3/h5-8,12H,4,9H2,1-3H3,(H3,15,16,17).
What are the key properties of 2-(2,2-dimethylcyclopropyl)-1-(4-ethylphenyl)guanidine?
2-(2,2-dimethylcyclopropyl)-1-(4-ethylphenyl)guanidine has a molecular weight of 231.34 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylcyclopropyl)-1-(4-ethylphenyl)guanidine is sourced from PubChem (CID 119120242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).