1-N,2-N-ditert-butyl-9H-fluorene-1,2-diamine

C21H28N2 — CID 151812419

IUPAC1-N,2-N-ditert-butyl-9H-fluorene-1,2-diamine
SMILESCC(C)(C)Nc1ccc2c(c1NC(C)(C)C)Cc1ccccc1-2
InChIInChI=1S/C21H28N2/c1-20(2,3)22-18-12-11-16-15-10-8-7-9-14(15)13-17(16)19(18)23-21(4,5)6/h7-12,22-23H,13H2,1-6H3
InChIKeySAWXIYUSHFUCNS-UHFFFAOYSA-N
MW308.47 g/mol
LogP5.68
Rot. Bonds2

About 1-N,2-N-ditert-butyl-9H-fluorene-1,2-diamine

1-N,2-N-ditert-butyl-9H-fluorene-1,2-diamine (PubChem CID 151812419) has the molecular formula C21H28N2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 1-N,2-N-ditert-butyl-9H-fluorene-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-ditert-butyl-9H-fluorene-1,2-diamine
PubChem CID151812419
Molecular FormulaC21H28N2
Molecular Weight308.47 g/mol
Exact Mass308.23
IUPAC Name1-N,2-N-ditert-butyl-9H-fluorene-1,2-diamine
SMILESCC(C)(C)Nc1ccc2c(c1NC(C)(C)C)Cc1ccccc1-2
InChIInChI=1S/C21H28N2/c1-20(2,3)22-18-12-11-16-15-10-8-7-9-14(15)13-17(16)19(18)23-21(4,5)6/h7-12,22-23H,13H2,1-6H3
InChIKeySAWXIYUSHFUCNS-UHFFFAOYSA-N
XLogP5.68
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.47
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
N-ethyl-9H-fluoren-1-amine
CID 67613408
1-tert-butyl-2-phenyl-9H-fluorene
CID 172750922
1,2-bis(2-methylphenyl)-9H-fluorene
CID 23369064
1-methylsulfonyl-9H-fluorene
CID 150271326
N-[1,2-dichloro-1-(9H-fluoren-1-yl)ethyl]-2-methylpropan-2-amine
CID 87185294
N-[9H-fluoren-1-yl(dimethyl)silyl]-2-methylpropan-2-amine;titanium;dihydrochloride
CID 173026390
1-methyl-N-naphthalen-1-yl-9H-fluoren-2-amine
CID 151967733
2-methyl-11,12-dihydroindeno[2,1-a]fluorene
CID 91412368
1,2-diethyl-9H-fluorene
CID 23440471
1-(1-ethyl-9H-fluoren-2-yl)-2-phenylhydrazine
CID 150745780
1-[2,3,4,5,6-pentakis(9H-fluoren-1-yl)phenyl]-9H-fluorene
CID 141308542

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-ditert-butyl-9H-fluorene-1,2-diamine?
The IUPAC name of 1-N,2-N-ditert-butyl-9H-fluorene-1,2-diamine (CID 151812419) is 1-N,2-N-ditert-butyl-9H-fluorene-1,2-diamine.
What is the SMILES notation for 1-N,2-N-ditert-butyl-9H-fluorene-1,2-diamine?
The canonical SMILES for 1-N,2-N-ditert-butyl-9H-fluorene-1,2-diamine is CC(C)(C)Nc1ccc2c(c1NC(C)(C)C)Cc1ccccc1-2.
What is the InChIKey of 1-N,2-N-ditert-butyl-9H-fluorene-1,2-diamine?
The InChIKey is SAWXIYUSHFUCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2/c1-20(2,3)22-18-12-11-16-15-10-8-7-9-14(15)13-17(16)19(18)23-21(4,5)6/h7-12,22-23H,13H2,1-6H3.
What are the key properties of 1-N,2-N-ditert-butyl-9H-fluorene-1,2-diamine?
1-N,2-N-ditert-butyl-9H-fluorene-1,2-diamine has a molecular weight of 308.47 g/mol, XLogP of 5.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-ditert-butyl-9H-fluorene-1,2-diamine is sourced from PubChem (CID 151812419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).