2,3-dibutyl-9H-fluoren-1-amine

C21H27N — CID 151540812

IUPAC2,3-dibutyl-9H-fluoren-1-amine
SMILESCCCCc1cc2c(c(N)c1CCCC)Cc1ccccc1-2
InChIInChI=1S/C21H27N/c1-3-5-9-16-13-19-17-12-8-7-10-15(17)14-20(19)21(22)18(16)11-6-4-2/h7-8,10,12-13H,3-6,9,11,14,22H2,1-2H3
InChIKeyPYLBDOKDVFADOB-UHFFFAOYSA-N
MW293.45 g/mol
LogP5.53
Rot. Bonds6

About 2,3-dibutyl-9H-fluoren-1-amine

2,3-dibutyl-9H-fluoren-1-amine (PubChem CID 151540812) has the molecular formula C21H27N and a molecular weight of 293.45 g/mol. Its IUPAC name is 2,3-dibutyl-9H-fluoren-1-amine.

Molecular Properties

Compound Name2,3-dibutyl-9H-fluoren-1-amine
PubChem CID151540812
Molecular FormulaC21H27N
Molecular Weight293.45 g/mol
Exact Mass293.21
IUPAC Name2,3-dibutyl-9H-fluoren-1-amine
SMILESCCCCc1cc2c(c(N)c1CCCC)Cc1ccccc1-2
InChIInChI=1S/C21H27N/c1-3-5-9-16-13-19-17-12-8-7-10-15(17)14-20(19)21(22)18(16)11-6-4-2/h7-8,10,12-13H,3-6,9,11,14,22H2,1-2H3
InChIKeyPYLBDOKDVFADOB-UHFFFAOYSA-N
XLogP5.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.45
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1,2,3-tributyl-9H-fluorene
CID 90984374
1-butyl-2-decyl-9H-fluorene
CID 151429799
1,2-dihexyl-9H-fluorene
CID 22141601
1-hexyl-9H-fluoren-2-amine
CID 57359668
1,2-dioctyl-3-phenyl-9H-fluorene
CID 140695586
1-butyl-5-methyl-9H-fluorene
CID 173246680
2-butyl-1-phenyl-9H-fluorene
CID 154085968
bis(9H-fluorene);pentane
CID 159146463
4-butyl-2-(9H-fluoren-1-yl)-3-octylphenol
CID 150998835
2-butyl-4-(9H-fluoren-1-yl)phenol
CID 139434152
1,2-dioctyl-9H-fluorene;thiophene
CID 174653713
1,2-diphenyl-3-propyl-9H-fluorene
CID 174971839

Frequently Asked Questions

What is the IUPAC name of 2,3-dibutyl-9H-fluoren-1-amine?
The IUPAC name of 2,3-dibutyl-9H-fluoren-1-amine (CID 151540812) is 2,3-dibutyl-9H-fluoren-1-amine.
What is the SMILES notation for 2,3-dibutyl-9H-fluoren-1-amine?
The canonical SMILES for 2,3-dibutyl-9H-fluoren-1-amine is CCCCc1cc2c(c(N)c1CCCC)Cc1ccccc1-2.
What is the InChIKey of 2,3-dibutyl-9H-fluoren-1-amine?
The InChIKey is PYLBDOKDVFADOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N/c1-3-5-9-16-13-19-17-12-8-7-10-15(17)14-20(19)21(22)18(16)11-6-4-2/h7-8,10,12-13H,3-6,9,11,14,22H2,1-2H3.
What are the key properties of 2,3-dibutyl-9H-fluoren-1-amine?
2,3-dibutyl-9H-fluoren-1-amine has a molecular weight of 293.45 g/mol, XLogP of 5.53, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibutyl-9H-fluoren-1-amine is sourced from PubChem (CID 151540812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).