amino-(2,3,4,5-tetramethyl-9H-fluoren-1-yl)carbamic acid

C18H20N2O2 — CID 150956906

IUPACamino-(2,3,4,5-tetramethyl-9H-fluoren-1-yl)carbamic acid
SMILESCc1cccc2c1-c1c(C)c(C)c(C)c(N(N)C(=O)O)c1C2
InChIInChI=1S/C18H20N2O2/c1-9-6-5-7-13-8-14-16(15(9)13)11(3)10(2)12(4)17(14)20(19)18(21)22/h5-7H,8,19H2,1-4H3,(H,21,22)
InChIKeyLLGVACPSHXHZCA-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.85
Rot. Bonds1

About amino-(2,3,4,5-tetramethyl-9H-fluoren-1-yl)carbamic acid

amino-(2,3,4,5-tetramethyl-9H-fluoren-1-yl)carbamic acid (PubChem CID 150956906) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is amino-(2,3,4,5-tetramethyl-9H-fluoren-1-yl)carbamic acid.

Molecular Properties

Compound Nameamino-(2,3,4,5-tetramethyl-9H-fluoren-1-yl)carbamic acid
PubChem CID150956906
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Nameamino-(2,3,4,5-tetramethyl-9H-fluoren-1-yl)carbamic acid
SMILESCc1cccc2c1-c1c(C)c(C)c(C)c(N(N)C(=O)O)c1C2
InChIInChI=1S/C18H20N2O2/c1-9-6-5-7-13-8-14-16(15(9)13)11(3)10(2)12(4)17(14)20(19)18(21)22/h5-7H,8,19H2,1-4H3,(H,21,22)
InChIKeyLLGVACPSHXHZCA-UHFFFAOYSA-N
XLogP3.85
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of amino-(2,3,4,5-tetramethyl-9H-fluoren-1-yl)carbamic acid?
The IUPAC name of amino-(2,3,4,5-tetramethyl-9H-fluoren-1-yl)carbamic acid (CID 150956906) is amino-(2,3,4,5-tetramethyl-9H-fluoren-1-yl)carbamic acid.
What is the SMILES notation for amino-(2,3,4,5-tetramethyl-9H-fluoren-1-yl)carbamic acid?
The canonical SMILES for amino-(2,3,4,5-tetramethyl-9H-fluoren-1-yl)carbamic acid is Cc1cccc2c1-c1c(C)c(C)c(C)c(N(N)C(=O)O)c1C2.
What is the InChIKey of amino-(2,3,4,5-tetramethyl-9H-fluoren-1-yl)carbamic acid?
The InChIKey is LLGVACPSHXHZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-9-6-5-7-13-8-14-16(15(9)13)11(3)10(2)12(4)17(14)20(19)18(21)22/h5-7H,8,19H2,1-4H3,(H,21,22).
What are the key properties of amino-(2,3,4,5-tetramethyl-9H-fluoren-1-yl)carbamic acid?
amino-(2,3,4,5-tetramethyl-9H-fluoren-1-yl)carbamic acid has a molecular weight of 296.37 g/mol, XLogP of 3.85, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for amino-(2,3,4,5-tetramethyl-9H-fluoren-1-yl)carbamic acid is sourced from PubChem (CID 150956906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).