2-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-1-(4-propan-2-yloxyphenyl)guanidine

C20H23N3O — CID 119164366

IUPAC2-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-1-(4-propan-2-yloxyphenyl)guanidine
SMILESCC(C)Oc1ccc(N/C(N)=N/C2C3Cc4ccccc4C32)cc1
InChIInChI=1S/C20H23N3O/c1-12(2)24-15-9-7-14(8-10-15)22-20(21)23-19-17-11-13-5-3-4-6-16(13)18(17)19/h3-10,12,17-19H,11H2,1-2H3,(H3,21,22,23)
InChIKeyFBRFRRRIMOHDEE-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.54
Rot. Bonds4

About 2-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-1-(4-propan-2-yloxyphenyl)guanidine

2-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-1-(4-propan-2-yloxyphenyl)guanidine (PubChem CID 119164366) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-1-(4-propan-2-yloxyphenyl)guanidine.

Molecular Properties

Compound Name2-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-1-(4-propan-2-yloxyphenyl)guanidine
PubChem CID119164366
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name2-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-1-(4-propan-2-yloxyphenyl)guanidine
SMILESCC(C)Oc1ccc(N/C(N)=N/C2C3Cc4ccccc4C32)cc1
InChIInChI=1S/C20H23N3O/c1-12(2)24-15-9-7-14(8-10-15)22-20(21)23-19-17-11-13-5-3-4-6-16(13)18(17)19/h3-10,12,17-19H,11H2,1-2H3,(H3,21,22,23)
InChIKeyFBRFRRRIMOHDEE-UHFFFAOYSA-N
XLogP3.54
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.54
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

2-(3,3-difluorocyclobutyl)-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
CID 120514521
2-tert-butyl-1-(4-propan-2-yloxyphenyl)guanidine
CID 55068406
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111073410
2-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-(4-propan-2-yloxyphenyl)guanidine
CID 111057638
1-phenyl-2-[(4-propan-2-yloxyphenyl)methyl]guanidine
CID 110893205
2-[3-(2-chlorophenyl)cyclobutyl]-1-(4-methoxyphenyl)guanidine
CID 122096693
2-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1-(4-propan-2-yloxyphenyl)guanidine
CID 111067508
1-(4-methoxyphenyl)-2-(2,2,3,3-tetramethylcyclopropyl)guanidine
CID 119145514
2-(2-phenyl-2-pyrrolidin-1-ylethyl)-1-(4-propan-2-yloxyphenyl)guanidine
CID 111029804
1-(4-propan-2-yloxyphenyl)-2-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine
CID 111049798
2-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
CID 111034506
1-phenyl-2-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine
CID 110924654

Frequently Asked Questions

What is the IUPAC name of 2-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-1-(4-propan-2-yloxyphenyl)guanidine?
The IUPAC name of 2-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-1-(4-propan-2-yloxyphenyl)guanidine (CID 119164366) is 2-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-1-(4-propan-2-yloxyphenyl)guanidine.
What is the SMILES notation for 2-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-1-(4-propan-2-yloxyphenyl)guanidine?
The canonical SMILES for 2-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-1-(4-propan-2-yloxyphenyl)guanidine is CC(C)Oc1ccc(N/C(N)=N/C2C3Cc4ccccc4C32)cc1.
What is the InChIKey of 2-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-1-(4-propan-2-yloxyphenyl)guanidine?
The InChIKey is FBRFRRRIMOHDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-12(2)24-15-9-7-14(8-10-15)22-20(21)23-19-17-11-13-5-3-4-6-16(13)18(17)19/h3-10,12,17-19H,11H2,1-2H3,(H3,21,22,23).
What are the key properties of 2-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-1-(4-propan-2-yloxyphenyl)guanidine?
2-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-1-(4-propan-2-yloxyphenyl)guanidine has a molecular weight of 321.42 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-1-(4-propan-2-yloxyphenyl)guanidine is sourced from PubChem (CID 119164366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).