9-ethyl-N,9-dimethyl-3,8,8a,9a-tetrahydro-1H-fluoren-2-imine

C17H23N — CID 123604765

IUPAC9-ethyl-N,9-dimethyl-3,8,8a,9a-tetrahydro-1H-fluoren-2-imine
SMILESCCC1(C)C2CC=CC=C2C2=CC/C(=N\C)CC21
InChIInChI=1S/C17H23N/c1-4-17(2)15-8-6-5-7-13(15)14-10-9-12(18-3)11-16(14)17/h5-7,10,15-16H,4,8-9,11H2,1-3H3/b18-12+
InChIKeyUNTRCXLUBITRDK-LDADJPATSA-N
MW241.38 g/mol
LogP4.33
Rot. Bonds1

About 9-ethyl-N,9-dimethyl-3,8,8a,9a-tetrahydro-1H-fluoren-2-imine

9-ethyl-N,9-dimethyl-3,8,8a,9a-tetrahydro-1H-fluoren-2-imine (PubChem CID 123604765) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is 9-ethyl-N,9-dimethyl-3,8,8a,9a-tetrahydro-1H-fluoren-2-imine.

Molecular Properties

Compound Name9-ethyl-N,9-dimethyl-3,8,8a,9a-tetrahydro-1H-fluoren-2-imine
PubChem CID123604765
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC Name9-ethyl-N,9-dimethyl-3,8,8a,9a-tetrahydro-1H-fluoren-2-imine
SMILESCCC1(C)C2CC=CC=C2C2=CC/C(=N\C)CC21
InChIInChI=1S/C17H23N/c1-4-17(2)15-8-6-5-7-13(15)14-10-9-12(18-3)11-16(14)17/h5-7,10,15-16H,4,8-9,11H2,1-3H3/b18-12+
InChIKeyUNTRCXLUBITRDK-LDADJPATSA-N
XLogP4.33
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

iridium;N-methyl-1-(2,3,3-trimethyl-7H-inden-7-id-1-yl)ethanimine
CID 57687935
iridium;N,3,3-trimethyl-2,9-dihydrocyclopenta[a]naphthalen-9-id-1-imine
CID 57687955
hydroxy-methyl-spiro[3a,4,5,7a-tetrahydro-3H-indene-2,2'-indene]-1-ylideneazanium
CID 88066606
(Z)-5-methyl-N-(1,9,9-trimethyl-1,2,3,4b,8a,9a-hexahydrofluoren-2-yl)hex-3-en-2-imine
CID 123268418
N-[[4-(3,6-dimethylcyclohexa-2,4-dien-1-yl)cyclohexa-2,4-dien-1-yl]methyl]-5,6,6-triethyl-3,7-dimethyloctan-2-imine
CID 123401859
4-(4,7a-dimethyl-1,2,3,3a,4,7-hexahydroinden-1-yl)-2-propan-2-ylidene-N-propylhexa-3,5-dien-1-imine
CID 123417329
(2Z,11Z)-2,3,13-trimethyl-10-propyl-15-azatricyclo[11.2.2.04,9]heptadeca-1(15),2,5,7,11,16-hexaene
CID 141772689
(7R)-7-[(4E)-7a-methyl-4-[(2Z)-2-(2-methylidenecyclohexylidene)ethylidene]-3a,5,6,7-tetrahydro-3H-inden-1-yl]-N,2,2-trimethyloctan-3-imine
CID 142232696
3-ethenyl-N-methyl-2-[(Z)-prop-1-enyl]-2,3,3a,7a-tetrahydroinden-1-imine
CID 145123078
1-methyl-2-propylcyclopentane;(6Z,9Z)-N,7,8,11-tetramethyldodeca-6,9,11-trien-5-imine
CID 145299285
3-(2,2-dimethylhexyl)-3aH-indole
CID 155467875
(1R)-N-[(3Z,5Z)-hepta-3,5-dienyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine
CID 166924800

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-N,9-dimethyl-3,8,8a,9a-tetrahydro-1H-fluoren-2-imine?
The IUPAC name of 9-ethyl-N,9-dimethyl-3,8,8a,9a-tetrahydro-1H-fluoren-2-imine (CID 123604765) is 9-ethyl-N,9-dimethyl-3,8,8a,9a-tetrahydro-1H-fluoren-2-imine.
What is the SMILES notation for 9-ethyl-N,9-dimethyl-3,8,8a,9a-tetrahydro-1H-fluoren-2-imine?
The canonical SMILES for 9-ethyl-N,9-dimethyl-3,8,8a,9a-tetrahydro-1H-fluoren-2-imine is CCC1(C)C2CC=CC=C2C2=CC/C(=N\C)CC21.
What is the InChIKey of 9-ethyl-N,9-dimethyl-3,8,8a,9a-tetrahydro-1H-fluoren-2-imine?
The InChIKey is UNTRCXLUBITRDK-LDADJPATSA-N. The full InChI is InChI=1S/C17H23N/c1-4-17(2)15-8-6-5-7-13(15)14-10-9-12(18-3)11-16(14)17/h5-7,10,15-16H,4,8-9,11H2,1-3H3/b18-12+.
What are the key properties of 9-ethyl-N,9-dimethyl-3,8,8a,9a-tetrahydro-1H-fluoren-2-imine?
9-ethyl-N,9-dimethyl-3,8,8a,9a-tetrahydro-1H-fluoren-2-imine has a molecular weight of 241.38 g/mol, XLogP of 4.33, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-N,9-dimethyl-3,8,8a,9a-tetrahydro-1H-fluoren-2-imine is sourced from PubChem (CID 123604765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).