2-(2-ethyl-2-propan-2-ylcyclopropyl)-1-(4-methoxyphenyl)guanidine

C16H25N3O — CID 122098457

IUPAC2-(2-ethyl-2-propan-2-ylcyclopropyl)-1-(4-methoxyphenyl)guanidine
SMILESCCC1(C(C)C)CC1/N=C(\N)Nc1ccc(OC)cc1
InChIInChI=1S/C16H25N3O/c1-5-16(11(2)3)10-14(16)19-15(17)18-12-6-8-13(20-4)9-7-12/h6-9,11,14H,5,10H2,1-4H3,(H3,17,18,19)
InChIKeyBPJYGMCGTJIQOC-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.25
Rot. Bonds5

About 2-(2-ethyl-2-propan-2-ylcyclopropyl)-1-(4-methoxyphenyl)guanidine

2-(2-ethyl-2-propan-2-ylcyclopropyl)-1-(4-methoxyphenyl)guanidine (PubChem CID 122098457) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-(2-ethyl-2-propan-2-ylcyclopropyl)-1-(4-methoxyphenyl)guanidine.

Molecular Properties

Compound Name2-(2-ethyl-2-propan-2-ylcyclopropyl)-1-(4-methoxyphenyl)guanidine
PubChem CID122098457
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-(2-ethyl-2-propan-2-ylcyclopropyl)-1-(4-methoxyphenyl)guanidine
SMILESCCC1(C(C)C)CC1/N=C(\N)Nc1ccc(OC)cc1
InChIInChI=1S/C16H25N3O/c1-5-16(11(2)3)10-14(16)19-15(17)18-12-6-8-13(20-4)9-7-12/h6-9,11,14H,5,10H2,1-4H3,(H3,17,18,19)
InChIKeyBPJYGMCGTJIQOC-UHFFFAOYSA-N
XLogP3.25
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.25
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-(4-methoxyphenyl)-2-spiro[2.2]pentan-2-ylguanidine
CID 122125973
1-(4-methoxyphenyl)-2-(2,2,3,3-tetramethylcyclopropyl)guanidine
CID 119145514
2-(2,2-dimethylcyclopropyl)-1-(4-ethylphenyl)guanidine
CID 119120242
1-(4-methoxyphenyl)-2-[(2-propan-2-yloxan-3-yl)methyl]guanidine
CID 111800074
2-(3,3-difluorocyclobutyl)-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
CID 120514521
1-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]guanidine
CID 56956540
2-[3-(2-chlorophenyl)cyclobutyl]-1-(4-methoxyphenyl)guanidine
CID 122096693
2-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-1-(4-methoxyphenyl)guanidine
CID 111099144
1-(4-methoxyphenyl)-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine
CID 111096559
2-(3-methoxy-2,2,3-trimethylcyclobutyl)-1-[4-(trifluoromethoxy)phenyl]guanidine;hydroiodide
CID 111823010
1-(4-methoxyphenyl)-2-(2-methylsulfanylethyl)guanidine
CID 111030340
2-(2-ethylsulfonylethyl)-1-(4-methoxyphenyl)guanidine
CID 111100364

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-2-propan-2-ylcyclopropyl)-1-(4-methoxyphenyl)guanidine?
The IUPAC name of 2-(2-ethyl-2-propan-2-ylcyclopropyl)-1-(4-methoxyphenyl)guanidine (CID 122098457) is 2-(2-ethyl-2-propan-2-ylcyclopropyl)-1-(4-methoxyphenyl)guanidine.
What is the SMILES notation for 2-(2-ethyl-2-propan-2-ylcyclopropyl)-1-(4-methoxyphenyl)guanidine?
The canonical SMILES for 2-(2-ethyl-2-propan-2-ylcyclopropyl)-1-(4-methoxyphenyl)guanidine is CCC1(C(C)C)CC1/N=C(\N)Nc1ccc(OC)cc1.
What is the InChIKey of 2-(2-ethyl-2-propan-2-ylcyclopropyl)-1-(4-methoxyphenyl)guanidine?
The InChIKey is BPJYGMCGTJIQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-5-16(11(2)3)10-14(16)19-15(17)18-12-6-8-13(20-4)9-7-12/h6-9,11,14H,5,10H2,1-4H3,(H3,17,18,19).
What are the key properties of 2-(2-ethyl-2-propan-2-ylcyclopropyl)-1-(4-methoxyphenyl)guanidine?
2-(2-ethyl-2-propan-2-ylcyclopropyl)-1-(4-methoxyphenyl)guanidine has a molecular weight of 275.40 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-2-propan-2-ylcyclopropyl)-1-(4-methoxyphenyl)guanidine is sourced from PubChem (CID 122098457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).