3,4,4a,4b,8a,9a-hexahydrofluoren-9-imine

C13H15N — CID 89317268

IUPAC3,4,4a,4b,8a,9a-hexahydrofluoren-9-imine
SMILES[H]/N=C1/C2C=CC=CC2C2CCC=CC12
InChIInChI=1S/C13H15N/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1,3-5,7-12,14H,2,6H2/b14-13-
InChIKeyXOIRPYBCQLQRDU-YPKPFQOOSA-N
MW185.27 g/mol
LogP2.96
Rot. Bonds

About 3,4,4a,4b,8a,9a-hexahydrofluoren-9-imine

3,4,4a,4b,8a,9a-hexahydrofluoren-9-imine (PubChem CID 89317268) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is 3,4,4a,4b,8a,9a-hexahydrofluoren-9-imine.

Molecular Properties

Compound Name3,4,4a,4b,8a,9a-hexahydrofluoren-9-imine
PubChem CID89317268
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name3,4,4a,4b,8a,9a-hexahydrofluoren-9-imine
SMILES[H]/N=C1/C2C=CC=CC2C2CCC=CC12
InChIInChI=1S/C13H15N/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1,3-5,7-12,14H,2,6H2/b14-13-
InChIKeyXOIRPYBCQLQRDU-YPKPFQOOSA-N
XLogP2.96
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4,4a,4b,8a,9a-hexahydrofluoren-9-imine?
The IUPAC name of 3,4,4a,4b,8a,9a-hexahydrofluoren-9-imine (CID 89317268) is 3,4,4a,4b,8a,9a-hexahydrofluoren-9-imine.
What is the SMILES notation for 3,4,4a,4b,8a,9a-hexahydrofluoren-9-imine?
The canonical SMILES for 3,4,4a,4b,8a,9a-hexahydrofluoren-9-imine is [H]/N=C1/C2C=CC=CC2C2CCC=CC12.
What is the InChIKey of 3,4,4a,4b,8a,9a-hexahydrofluoren-9-imine?
The InChIKey is XOIRPYBCQLQRDU-YPKPFQOOSA-N. The full InChI is InChI=1S/C13H15N/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1,3-5,7-12,14H,2,6H2/b14-13-.
What are the key properties of 3,4,4a,4b,8a,9a-hexahydrofluoren-9-imine?
3,4,4a,4b,8a,9a-hexahydrofluoren-9-imine has a molecular weight of 185.27 g/mol, XLogP of 2.96, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4a,4b,8a,9a-hexahydrofluoren-9-imine is sourced from PubChem (CID 89317268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).