9H-fluoren-9-yl-[(1R,2S)-2-methylcyclohexyl]azanium

C20H24N+ — CID 8000704

IUPAC9H-fluoren-9-yl-[(1R,2S)-2-methylcyclohexyl]azanium
SMILESC[C@H]1CCCC[C@H]1[NH2+]C1c2ccccc2-c2ccccc21
InChIInChI=1S/C20H23N/c1-14-8-2-7-13-19(14)21-20-17-11-5-3-9-15(17)16-10-4-6-12-18(16)20/h3-6,9-12,14,19-21H,2,7-8,13H2,1H3/p+1/t14-,19+/m0/s1
InChIKeyMKQHVISXGKCEAB-IFXJQAMLSA-O
MW278.42 g/mol
LogP3.90
Rot. Bonds2

About 9H-fluoren-9-yl-[(1R,2S)-2-methylcyclohexyl]azanium

9H-fluoren-9-yl-[(1R,2S)-2-methylcyclohexyl]azanium (PubChem CID 8000704) has the molecular formula C20H24N+ and a molecular weight of 278.42 g/mol. Its IUPAC name is 9H-fluoren-9-yl-[(1R,2S)-2-methylcyclohexyl]azanium.

Molecular Properties

Compound Name9H-fluoren-9-yl-[(1R,2S)-2-methylcyclohexyl]azanium
PubChem CID8000704
Molecular FormulaC20H24N+
Molecular Weight278.42 g/mol
Exact Mass278.19
IUPAC Name9H-fluoren-9-yl-[(1R,2S)-2-methylcyclohexyl]azanium
SMILESC[C@H]1CCCC[C@H]1[NH2+]C1c2ccccc2-c2ccccc21
InChIInChI=1S/C20H23N/c1-14-8-2-7-13-19(14)21-20-17-11-5-3-9-15(17)16-10-4-6-12-18(16)20/h3-6,9-12,14,19-21H,2,7-8,13H2,1H3/p+1/t14-,19+/m0/s1
InChIKeyMKQHVISXGKCEAB-IFXJQAMLSA-O
XLogP3.90
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-yl-[(1R,2S)-2-methylcyclohexyl]azanium?
The IUPAC name of 9H-fluoren-9-yl-[(1R,2S)-2-methylcyclohexyl]azanium (CID 8000704) is 9H-fluoren-9-yl-[(1R,2S)-2-methylcyclohexyl]azanium.
What is the SMILES notation for 9H-fluoren-9-yl-[(1R,2S)-2-methylcyclohexyl]azanium?
The canonical SMILES for 9H-fluoren-9-yl-[(1R,2S)-2-methylcyclohexyl]azanium is C[C@H]1CCCC[C@H]1[NH2+]C1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-yl-[(1R,2S)-2-methylcyclohexyl]azanium?
The InChIKey is MKQHVISXGKCEAB-IFXJQAMLSA-O. The full InChI is InChI=1S/C20H23N/c1-14-8-2-7-13-19(14)21-20-17-11-5-3-9-15(17)16-10-4-6-12-18(16)20/h3-6,9-12,14,19-21H,2,7-8,13H2,1H3/p+1/t14-,19+/m0/s1.
What are the key properties of 9H-fluoren-9-yl-[(1R,2S)-2-methylcyclohexyl]azanium?
9H-fluoren-9-yl-[(1R,2S)-2-methylcyclohexyl]azanium has a molecular weight of 278.42 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-yl-[(1R,2S)-2-methylcyclohexyl]azanium is sourced from PubChem (CID 8000704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).