9-ethyl-9-methyl-3,4,5,6-tetrahydro-1H-fluoren-2-imine

C16H21N — CID 123383260

IUPAC9-ethyl-9-methyl-3,4,5,6-tetrahydro-1H-fluoren-2-imine
SMILES[H]/N=C1\CCC2=C(C1)C(C)(CC)C1=C2CCC=C1
InChIInChI=1S/C16H21N/c1-3-16(2)14-7-5-4-6-12(14)13-9-8-11(17)10-15(13)16/h5,7,17H,3-4,6,8-10H2,1-2H3/b17-11+
InChIKeyFBOZJZORSFVSCB-GZTJUZNOSA-N
MW227.35 g/mol
LogP4.56
Rot. Bonds1

About 9-ethyl-9-methyl-3,4,5,6-tetrahydro-1H-fluoren-2-imine

9-ethyl-9-methyl-3,4,5,6-tetrahydro-1H-fluoren-2-imine (PubChem CID 123383260) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is 9-ethyl-9-methyl-3,4,5,6-tetrahydro-1H-fluoren-2-imine.

Molecular Properties

Compound Name9-ethyl-9-methyl-3,4,5,6-tetrahydro-1H-fluoren-2-imine
PubChem CID123383260
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Name9-ethyl-9-methyl-3,4,5,6-tetrahydro-1H-fluoren-2-imine
SMILES[H]/N=C1\CCC2=C(C1)C(C)(CC)C1=C2CCC=C1
InChIInChI=1S/C16H21N/c1-3-16(2)14-7-5-4-6-12(14)13-9-8-11(17)10-15(13)16/h5,7,17H,3-4,6,8-10H2,1-2H3/b17-11+
InChIKeyFBOZJZORSFVSCB-GZTJUZNOSA-N
XLogP4.56
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E,7R)-7-[(3aS,4E,7aS)-4-[(2Z)-2-[(3S)-3-fluoro-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-1-yl]-2,2-dimethyloct-4-en-3-imine
CID 143315952
Tricyclo[10.4.0.04,9]hexadeca-1(16),6,8,10,14-pentaen-2-imine
CID 56995744
iridium;N,3,3-trimethyl-2,9-dihydrocyclopenta[a]naphthalen-9-id-1-imine
CID 57687955
(3S)-3-(4-octylcyclohexa-2,4-dien-1-yl)cyclopentan-1-imine
CID 68219189
(4E)-5-ethyl-7,9,13,16-tetramethyl-8-methylideneheptadeca-4,11,13-trien-2-imine
CID 90720795
2-Cyclohexa-1,5-dien-1-yl-6,6-dimethylcyclohept-2-ene-1,4-diimine
CID 90793702
1-Cyclopentyl-4,9-dimethyl-6-prop-1-enyldeca-6,8-dien-3-imine
CID 90856571
(3Z)-4,6,8,8-tetramethylnona-1,3-dien-5-imine
CID 90880737
3,7-Dimethyl-1-(2,6,6-trimethylcyclohexen-1-yl)nona-1,3,7-trien-5-imine
CID 91041769
4-(8-methyl-2,5,8,9-tetrahydro-1H-benzo[7]annulen-6-yl)butan-2-imine
CID 91076155
6-Methyl-6-(4-methylpenta-1,2-dien-3-yl)-3-propan-2-ylcyclohepta-2,4-dien-1-imine
CID 91130436
CID 91251463
CID 91251463

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-9-methyl-3,4,5,6-tetrahydro-1H-fluoren-2-imine?
The IUPAC name of 9-ethyl-9-methyl-3,4,5,6-tetrahydro-1H-fluoren-2-imine (CID 123383260) is 9-ethyl-9-methyl-3,4,5,6-tetrahydro-1H-fluoren-2-imine.
What is the SMILES notation for 9-ethyl-9-methyl-3,4,5,6-tetrahydro-1H-fluoren-2-imine?
The canonical SMILES for 9-ethyl-9-methyl-3,4,5,6-tetrahydro-1H-fluoren-2-imine is [H]/N=C1\CCC2=C(C1)C(C)(CC)C1=C2CCC=C1.
What is the InChIKey of 9-ethyl-9-methyl-3,4,5,6-tetrahydro-1H-fluoren-2-imine?
The InChIKey is FBOZJZORSFVSCB-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H21N/c1-3-16(2)14-7-5-4-6-12(14)13-9-8-11(17)10-15(13)16/h5,7,17H,3-4,6,8-10H2,1-2H3/b17-11+.
What are the key properties of 9-ethyl-9-methyl-3,4,5,6-tetrahydro-1H-fluoren-2-imine?
9-ethyl-9-methyl-3,4,5,6-tetrahydro-1H-fluoren-2-imine has a molecular weight of 227.35 g/mol, XLogP of 4.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-9-methyl-3,4,5,6-tetrahydro-1H-fluoren-2-imine is sourced from PubChem (CID 123383260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).