N-methyl-4b,5,8,9-tetrahydrofluoren-8a-amine

C14H17N — CID 23273996

IUPACN-methyl-4b,5,8,9-tetrahydrofluoren-8a-amine
SMILESCNC12CC=CCC1c1ccccc1C2
InChIInChI=1S/C14H17N/c1-15-14-9-5-4-8-13(14)12-7-3-2-6-11(12)10-14/h2-7,13,15H,8-10H2,1H3
InChIKeyPARPDBILAGKOHH-UHFFFAOYSA-N
MW199.30 g/mol
LogP2.63
Rot. Bonds1

About N-methyl-4b,5,8,9-tetrahydrofluoren-8a-amine

N-methyl-4b,5,8,9-tetrahydrofluoren-8a-amine (PubChem CID 23273996) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is N-methyl-4b,5,8,9-tetrahydrofluoren-8a-amine.

Molecular Properties

Compound NameN-methyl-4b,5,8,9-tetrahydrofluoren-8a-amine
PubChem CID23273996
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC NameN-methyl-4b,5,8,9-tetrahydrofluoren-8a-amine
SMILESCNC12CC=CCC1c1ccccc1C2
InChIInChI=1S/C14H17N/c1-15-14-9-5-4-8-13(14)12-7-3-2-6-11(12)10-14/h2-7,13,15H,8-10H2,1H3
InChIKeyPARPDBILAGKOHH-UHFFFAOYSA-N
XLogP2.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4b,5,8,9-tetrahydrofluoren-8a-amine?
The IUPAC name of N-methyl-4b,5,8,9-tetrahydrofluoren-8a-amine (CID 23273996) is N-methyl-4b,5,8,9-tetrahydrofluoren-8a-amine.
What is the SMILES notation for N-methyl-4b,5,8,9-tetrahydrofluoren-8a-amine?
The canonical SMILES for N-methyl-4b,5,8,9-tetrahydrofluoren-8a-amine is CNC12CC=CCC1c1ccccc1C2.
What is the InChIKey of N-methyl-4b,5,8,9-tetrahydrofluoren-8a-amine?
The InChIKey is PARPDBILAGKOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c1-15-14-9-5-4-8-13(14)12-7-3-2-6-11(12)10-14/h2-7,13,15H,8-10H2,1H3.
What are the key properties of N-methyl-4b,5,8,9-tetrahydrofluoren-8a-amine?
N-methyl-4b,5,8,9-tetrahydrofluoren-8a-amine has a molecular weight of 199.30 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4b,5,8,9-tetrahydrofluoren-8a-amine is sourced from PubChem (CID 23273996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).