2-tert-butyl-1-(9H-fluoren-2-yl)guanidine

C18H21N3 — CID 62379249

IUPAC2-tert-butyl-1-(9H-fluoren-2-yl)guanidine
SMILESCC(C)(C)/N=C(\N)Nc1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C18H21N3/c1-18(2,3)21-17(19)20-14-8-9-16-13(11-14)10-12-6-4-5-7-15(12)16/h4-9,11H,10H2,1-3H3,(H3,19,20,21)
InChIKeyLDOZAVBLDYQHPA-UHFFFAOYSA-N
MW279.39 g/mol
LogP3.78
Rot. Bonds1

About 2-tert-butyl-1-(9H-fluoren-2-yl)guanidine

2-tert-butyl-1-(9H-fluoren-2-yl)guanidine (PubChem CID 62379249) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is 2-tert-butyl-1-(9H-fluoren-2-yl)guanidine.

Molecular Properties

Compound Name2-tert-butyl-1-(9H-fluoren-2-yl)guanidine
PubChem CID62379249
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Name2-tert-butyl-1-(9H-fluoren-2-yl)guanidine
SMILESCC(C)(C)/N=C(\N)Nc1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C18H21N3/c1-18(2,3)21-17(19)20-14-8-9-16-13(11-14)10-12-6-4-5-7-15(12)16/h4-9,11H,10H2,1-3H3,(H3,19,20,21)
InChIKeyLDOZAVBLDYQHPA-UHFFFAOYSA-N
XLogP3.78
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 53.78
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

ethyl 2-(9H-fluoren-2-ylamino)-2-oxoacetate
CID 3033193
1-amino-2-ethyl-3-(9H-fluoren-2-yl)guanidine
CID 116511868
(2S)-1-(9H-fluoren-2-ylamino)propan-2-ol
CID 106931773
[(2S)-1-(9H-fluoren-2-ylamino)-1-oxopropan-2-yl]azanium
CID 2220327
2-tert-butyl-1-(1,3-dioxoisoindol-5-yl)guanidine
CID 55068353
N-(9H-fluoren-2-ylcarbamothioyl)acetamide
CID 17099951
2-tert-butyl-1-(4-tert-butylphenyl)guanidine
CID 55068593
N-tert-butyl-2-[9H-fluoren-2-ylcarbamoyl(methyl)amino]acetamide
CID 86987567
3-(9H-fluoren-2-yl)-1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-1-methylurea
CID 75470123
2-tert-butyl-1-[4-(trifluoromethyl)phenyl]guanidine
CID 62378703
2-amino-N-(9H-fluoren-2-yl)pentanamide
CID 43650050
1-(2-ethyl-2-hydroxybutyl)-3-(9H-fluoren-2-yl)urea
CID 51131990

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-(9H-fluoren-2-yl)guanidine?
The IUPAC name of 2-tert-butyl-1-(9H-fluoren-2-yl)guanidine (CID 62379249) is 2-tert-butyl-1-(9H-fluoren-2-yl)guanidine.
What is the SMILES notation for 2-tert-butyl-1-(9H-fluoren-2-yl)guanidine?
The canonical SMILES for 2-tert-butyl-1-(9H-fluoren-2-yl)guanidine is CC(C)(C)/N=C(\N)Nc1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 2-tert-butyl-1-(9H-fluoren-2-yl)guanidine?
The InChIKey is LDOZAVBLDYQHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-18(2,3)21-17(19)20-14-8-9-16-13(11-14)10-12-6-4-5-7-15(12)16/h4-9,11H,10H2,1-3H3,(H3,19,20,21).
What are the key properties of 2-tert-butyl-1-(9H-fluoren-2-yl)guanidine?
2-tert-butyl-1-(9H-fluoren-2-yl)guanidine has a molecular weight of 279.39 g/mol, XLogP of 3.78, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-(9H-fluoren-2-yl)guanidine is sourced from PubChem (CID 62379249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).