1-(4-methoxyphenyl)-2-(2,2,3,3-tetramethylcyclopropyl)guanidine

C15H23N3O — CID 119145514

IUPAC1-(4-methoxyphenyl)-2-(2,2,3,3-tetramethylcyclopropyl)guanidine
SMILESCOc1ccc(N/C(N)=N/C2C(C)(C)C2(C)C)cc1
InChIInChI=1S/C15H23N3O/c1-14(2)12(15(14,3)4)18-13(16)17-10-6-8-11(19-5)9-7-10/h6-9,12H,1-5H3,(H3,16,17,18)
InChIKeyWDOLLYDCEIGIJB-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.86
Rot. Bonds3

About 1-(4-methoxyphenyl)-2-(2,2,3,3-tetramethylcyclopropyl)guanidine

1-(4-methoxyphenyl)-2-(2,2,3,3-tetramethylcyclopropyl)guanidine (PubChem CID 119145514) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-(2,2,3,3-tetramethylcyclopropyl)guanidine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-(2,2,3,3-tetramethylcyclopropyl)guanidine
PubChem CID119145514
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-(4-methoxyphenyl)-2-(2,2,3,3-tetramethylcyclopropyl)guanidine
SMILESCOc1ccc(N/C(N)=N/C2C(C)(C)C2(C)C)cc1
InChIInChI=1S/C15H23N3O/c1-14(2)12(15(14,3)4)18-13(16)17-10-6-8-11(19-5)9-7-10/h6-9,12H,1-5H3,(H3,16,17,18)
InChIKeyWDOLLYDCEIGIJB-UHFFFAOYSA-N
XLogP2.86
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.86
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-phenyl-2-(2,2,3,3-tetramethylcyclopropyl)guanidine
CID 79350479
1-(4-methoxyphenyl)-2-spiro[2.2]pentan-2-ylguanidine
CID 122125973
N-(4-methoxyphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 816577
2-(2-ethyl-2-propan-2-ylcyclopropyl)-1-(4-methoxyphenyl)guanidine
CID 122098457
2-[3-(2-chlorophenyl)cyclobutyl]-1-(4-methoxyphenyl)guanidine
CID 122096693
1-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]guanidine
CID 56956540
2-[[3-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]phenyl]methyl]-1-(4-methoxyphenyl)guanidine
CID 110062228
1-(4-methoxyphenyl)-2-(2-methylsulfanylethyl)guanidine
CID 111030340
1-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)-2-methylpropyl]guanidine
CID 111089665
2-benzyl-1-(4-methoxyphenyl)guanidine
CID 100672982
(3Z)-3-amino-3-hydroxyimino-N-(4-methoxyphenyl)propanamide
CID 16762435
2-(3-methoxy-2,2,3-trimethylcyclobutyl)-1-[4-(trifluoromethoxy)phenyl]guanidine;hydroiodide
CID 111823010

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-(2,2,3,3-tetramethylcyclopropyl)guanidine?
The IUPAC name of 1-(4-methoxyphenyl)-2-(2,2,3,3-tetramethylcyclopropyl)guanidine (CID 119145514) is 1-(4-methoxyphenyl)-2-(2,2,3,3-tetramethylcyclopropyl)guanidine.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-(2,2,3,3-tetramethylcyclopropyl)guanidine?
The canonical SMILES for 1-(4-methoxyphenyl)-2-(2,2,3,3-tetramethylcyclopropyl)guanidine is COc1ccc(N/C(N)=N/C2C(C)(C)C2(C)C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-(2,2,3,3-tetramethylcyclopropyl)guanidine?
The InChIKey is WDOLLYDCEIGIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-14(2)12(15(14,3)4)18-13(16)17-10-6-8-11(19-5)9-7-10/h6-9,12H,1-5H3,(H3,16,17,18).
What are the key properties of 1-(4-methoxyphenyl)-2-(2,2,3,3-tetramethylcyclopropyl)guanidine?
1-(4-methoxyphenyl)-2-(2,2,3,3-tetramethylcyclopropyl)guanidine has a molecular weight of 261.37 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-(2,2,3,3-tetramethylcyclopropyl)guanidine is sourced from PubChem (CID 119145514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).