9,9-dimethyl-5,6-didehydrofluoren-3-amine

C15H13N — CID 166956873

IUPAC9,9-dimethyl-5,6-didehydrofluoren-3-amine
SMILESCC1(C)c2ccc#cc2-c2cc(N)ccc21
InChIInChI=1S/C15H13N/c1-15(2)13-6-4-3-5-11(13)12-9-10(16)7-8-14(12)15/h4,6-9H,16H2,1-2H3
InChIKeyUMGIYQBGOKDJGC-UHFFFAOYSA-N
MW207.28 g/mol
LogP3.18
Rot. Bonds

About 9,9-dimethyl-5,6-didehydrofluoren-3-amine

9,9-dimethyl-5,6-didehydrofluoren-3-amine (PubChem CID 166956873) has the molecular formula C15H13N and a molecular weight of 207.28 g/mol. Its IUPAC name is 9,9-dimethyl-5,6-didehydrofluoren-3-amine.

Molecular Properties

Compound Name9,9-dimethyl-5,6-didehydrofluoren-3-amine
PubChem CID166956873
Molecular FormulaC15H13N
Molecular Weight207.28 g/mol
Exact Mass207.10
IUPAC Name9,9-dimethyl-5,6-didehydrofluoren-3-amine
SMILESCC1(C)c2ccc#cc2-c2cc(N)ccc21
InChIInChI=1S/C15H13N/c1-15(2)13-6-4-3-5-11(13)12-9-10(16)7-8-14(12)15/h4,6-9H,16H2,1-2H3
InChIKeyUMGIYQBGOKDJGC-UHFFFAOYSA-N
XLogP3.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-5,6-didehydrofluoren-3-amine?
The IUPAC name of 9,9-dimethyl-5,6-didehydrofluoren-3-amine (CID 166956873) is 9,9-dimethyl-5,6-didehydrofluoren-3-amine.
What is the SMILES notation for 9,9-dimethyl-5,6-didehydrofluoren-3-amine?
The canonical SMILES for 9,9-dimethyl-5,6-didehydrofluoren-3-amine is CC1(C)c2ccc#cc2-c2cc(N)ccc21.
What is the InChIKey of 9,9-dimethyl-5,6-didehydrofluoren-3-amine?
The InChIKey is UMGIYQBGOKDJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N/c1-15(2)13-6-4-3-5-11(13)12-9-10(16)7-8-14(12)15/h4,6-9H,16H2,1-2H3.
What are the key properties of 9,9-dimethyl-5,6-didehydrofluoren-3-amine?
9,9-dimethyl-5,6-didehydrofluoren-3-amine has a molecular weight of 207.28 g/mol, XLogP of 3.18, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-5,6-didehydrofluoren-3-amine is sourced from PubChem (CID 166956873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).