4b,5,6,7,8,9-hexahydrofluoren-8a-amine

C13H17N — CID 23273818

IUPAC4b,5,6,7,8,9-hexahydrofluoren-8a-amine
SMILESNC12CCCCC1c1ccccc1C2
InChIInChI=1S/C13H17N/c14-13-8-4-3-7-12(13)11-6-2-1-5-10(11)9-13/h1-2,5-6,12H,3-4,7-9,14H2
InChIKeyVRODRPSHGSGBPC-UHFFFAOYSA-N
MW187.29 g/mol
LogP2.60
Rot. Bonds

About 4b,5,6,7,8,9-hexahydrofluoren-8a-amine

4b,5,6,7,8,9-hexahydrofluoren-8a-amine (PubChem CID 23273818) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 4b,5,6,7,8,9-hexahydrofluoren-8a-amine.

Molecular Properties

Compound Name4b,5,6,7,8,9-hexahydrofluoren-8a-amine
PubChem CID23273818
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name4b,5,6,7,8,9-hexahydrofluoren-8a-amine
SMILESNC12CCCCC1c1ccccc1C2
InChIInChI=1S/C13H17N/c14-13-8-4-3-7-12(13)11-6-2-1-5-10(11)9-13/h1-2,5-6,12H,3-4,7-9,14H2
InChIKeyVRODRPSHGSGBPC-UHFFFAOYSA-N
XLogP2.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4b,5,6,7,8,9-hexahydrofluoren-8a-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4b,5,6,7,8,9-hexahydrofluoren-8a-amine?
The IUPAC name of 4b,5,6,7,8,9-hexahydrofluoren-8a-amine (CID 23273818) is 4b,5,6,7,8,9-hexahydrofluoren-8a-amine.
What is the SMILES notation for 4b,5,6,7,8,9-hexahydrofluoren-8a-amine?
The canonical SMILES for 4b,5,6,7,8,9-hexahydrofluoren-8a-amine is NC12CCCCC1c1ccccc1C2.
What is the InChIKey of 4b,5,6,7,8,9-hexahydrofluoren-8a-amine?
The InChIKey is VRODRPSHGSGBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c14-13-8-4-3-7-12(13)11-6-2-1-5-10(11)9-13/h1-2,5-6,12H,3-4,7-9,14H2.
What are the key properties of 4b,5,6,7,8,9-hexahydrofluoren-8a-amine?
4b,5,6,7,8,9-hexahydrofluoren-8a-amine has a molecular weight of 187.29 g/mol, XLogP of 2.60, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4b,5,6,7,8,9-hexahydrofluoren-8a-amine is sourced from PubChem (CID 23273818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).