2-[(1R,2S)-2-cyclopropylcyclopropyl]-1-(4-ethylphenyl)guanidine

C15H21N3 — CID 120666058

IUPAC2-[(1R,2S)-2-cyclopropylcyclopropyl]-1-(4-ethylphenyl)guanidine
SMILESCCc1ccc(N/C(N)=N/[C@@H]2C[C@H]2C2CC2)cc1
InChIInChI=1S/C15H21N3/c1-2-10-3-7-12(8-4-10)17-15(16)18-14-9-13(14)11-5-6-11/h3-4,7-8,11,13-14H,2,5-6,9H2,1H3,(H3,16,17,18)/t13-,14+/m0/s1
InChIKeyYOVFWIAXZHVOGV-UONOGXRCSA-N
MW243.35 g/mol
LogP2.77
Rot. Bonds4

About 2-[(1R,2S)-2-cyclopropylcyclopropyl]-1-(4-ethylphenyl)guanidine

2-[(1R,2S)-2-cyclopropylcyclopropyl]-1-(4-ethylphenyl)guanidine (PubChem CID 120666058) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[(1R,2S)-2-cyclopropylcyclopropyl]-1-(4-ethylphenyl)guanidine.

Molecular Properties

Compound Name2-[(1R,2S)-2-cyclopropylcyclopropyl]-1-(4-ethylphenyl)guanidine
PubChem CID120666058
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name2-[(1R,2S)-2-cyclopropylcyclopropyl]-1-(4-ethylphenyl)guanidine
SMILESCCc1ccc(N/C(N)=N/[C@@H]2C[C@H]2C2CC2)cc1
InChIInChI=1S/C15H21N3/c1-2-10-3-7-12(8-4-10)17-15(16)18-14-9-13(14)11-5-6-11/h3-4,7-8,11,13-14H,2,5-6,9H2,1H3,(H3,16,17,18)/t13-,14+/m0/s1
InChIKeyYOVFWIAXZHVOGV-UONOGXRCSA-N
XLogP2.77
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
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

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-(trifluoromethoxy)phenyl]guanidine
CID 120666068
1-(4-ethylphenyl)-2-(2-propylcyclopropyl)guanidine;hydroiodide
CID 111822782
2-cyclobutyl-1-(4-ethylphenyl)guanidine
CID 119146745
1-(4-ethylphenyl)-2-(3-hydroxycyclobutyl)guanidine
CID 122098269
2-[(1R,2S)-2-cyclopropylcyclopropyl]-1-(3,5-dimethylphenyl)guanidine
CID 120666092
2-[(1R,2S)-2-cyclopropylcyclopropyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine
CID 120666060
2-(2,2-dimethylcyclopropyl)-1-(4-ethylphenyl)guanidine
CID 119120242
1-(4-ethylphenyl)-2-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylguanidine
CID 109378029
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

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S)-2-cyclopropylcyclopropyl]-1-(4-ethylphenyl)guanidine?
The IUPAC name of 2-[(1R,2S)-2-cyclopropylcyclopropyl]-1-(4-ethylphenyl)guanidine (CID 120666058) is 2-[(1R,2S)-2-cyclopropylcyclopropyl]-1-(4-ethylphenyl)guanidine.
What is the SMILES notation for 2-[(1R,2S)-2-cyclopropylcyclopropyl]-1-(4-ethylphenyl)guanidine?
The canonical SMILES for 2-[(1R,2S)-2-cyclopropylcyclopropyl]-1-(4-ethylphenyl)guanidine is CCc1ccc(N/C(N)=N/[C@@H]2C[C@H]2C2CC2)cc1.
What is the InChIKey of 2-[(1R,2S)-2-cyclopropylcyclopropyl]-1-(4-ethylphenyl)guanidine?
The InChIKey is YOVFWIAXZHVOGV-UONOGXRCSA-N. The full InChI is InChI=1S/C15H21N3/c1-2-10-3-7-12(8-4-10)17-15(16)18-14-9-13(14)11-5-6-11/h3-4,7-8,11,13-14H,2,5-6,9H2,1H3,(H3,16,17,18)/t13-,14+/m0/s1.
What are the key properties of 2-[(1R,2S)-2-cyclopropylcyclopropyl]-1-(4-ethylphenyl)guanidine?
2-[(1R,2S)-2-cyclopropylcyclopropyl]-1-(4-ethylphenyl)guanidine has a molecular weight of 243.35 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S)-2-cyclopropylcyclopropyl]-1-(4-ethylphenyl)guanidine is sourced from PubChem (CID 120666058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).