butane;(6Z,8Z)-10-ethyl-2-fluoro-4,6-dimethyl-10,10a-dihydro-1H-benzo[8]annulen-5-imine

C20H30FN — CID 142313967

IUPACbutane;(6Z,8Z)-10-ethyl-2-fluoro-4,6-dimethyl-10,10a-dihydro-1H-benzo[8]annulen-5-imine
SMILESCCCC.[H]/N=C1C2=C(C)C=C(F)CC2C(CC)/C=C\C=C/1C
InChIInChI=1S/C16H20FN.C4H10/c1-4-12-7-5-6-10(2)16(18)15-11(3)8-13(17)9-14(12)15;1-3-4-2/h5-8,12,14,18H,4,9H2,1-3H3;3-4H2,1-2H3/b7-5-,10-6-,18-16+;
InChIKeyXGFBGIAVELGSAM-UABADDMJSA-N
MW303.47 g/mol
LogP6.54
Rot. Bonds2

About butane;(6Z,8Z)-10-ethyl-2-fluoro-4,6-dimethyl-10,10a-dihydro-1H-benzo[8]annulen-5-imine

butane;(6Z,8Z)-10-ethyl-2-fluoro-4,6-dimethyl-10,10a-dihydro-1H-benzo[8]annulen-5-imine (PubChem CID 142313967) has the molecular formula C20H30FN and a molecular weight of 303.47 g/mol. Its IUPAC name is butane;(6Z,8Z)-10-ethyl-2-fluoro-4,6-dimethyl-10,10a-dihydro-1H-benzo[8]annulen-5-imine.

Molecular Properties

Compound Namebutane;(6Z,8Z)-10-ethyl-2-fluoro-4,6-dimethyl-10,10a-dihydro-1H-benzo[8]annulen-5-imine
PubChem CID142313967
Molecular FormulaC20H30FN
Molecular Weight303.47 g/mol
Exact Mass303.24
IUPAC Namebutane;(6Z,8Z)-10-ethyl-2-fluoro-4,6-dimethyl-10,10a-dihydro-1H-benzo[8]annulen-5-imine
SMILESCCCC.[H]/N=C1C2=C(C)C=C(F)CC2C(CC)/C=C\C=C/1C
InChIInChI=1S/C16H20FN.C4H10/c1-4-12-7-5-6-10(2)16(18)15-11(3)8-13(17)9-14(12)15;1-3-4-2/h5-8,12,14,18H,4,9H2,1-3H3;3-4H2,1-2H3/b7-5-,10-6-,18-16+;
InChIKeyXGFBGIAVELGSAM-UABADDMJSA-N
XLogP6.54
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.47
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze butane;(6Z,8Z)-10-ethyl-2-fluoro-4,6-dimethyl-10,10a-dihydro-1H-benzo[8]annulen-5-imine with MolForge

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

Launch Full Analysis

Related Compounds

3-Ethylidene-6-fluoro-6-methyl-5-prop-1-en-2-yloctan-2-imine
CID 91340707
8-Ethenyl-2,4-difluoro-5,12-dimethyl-3-(trifluoromethyl)tetradeca-2,4,7-trien-6-imine
CID 91463138
9-Fluoro-5,7-dimethyldodeca-7,9-dien-4-imine
CID 123799788
(4aZ,6Z)-7-[(5-fluoro-6-methylcyclohexa-2,4-dien-1-yl)methyl]-9,10-didehydro-3,4,8,10a-tetrahydro-2H-benzo[8]annulen-1-imine
CID 134172855
3-Cyclohexa-1,5-dien-1-yl-4-(5,6-difluorocyclohexa-1,5-dien-1-yl)pentan-2-imine
CID 135190781
[2-Fluoro-4-imino-3,5-di(propan-2-yl)cyclohexa-2,5-dien-1-ylidene]methylideneazanide
CID 142522964
(2Z,4Z)-6-(4-cyclohexyl-2-methylcyclohexen-1-yl)-2,3-difluorohexa-2,4-dienimidoyl fluoride
CID 146579920
(6Z)-10-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)undeca-1,6-dien-5-imine
CID 153399956
(2Z)-1-[4,6-difluoro-6-methyl-2-(1-methyl-2-methylidenecyclopropyl)cyclohexa-2,4-dien-1-yl]penta-2,4-dien-1-imine
CID 163505329
(2E)-2-[(Z)-3-fluoro-2-methylprop-1-enyl]-3-methyl-1-(2-methyl-2-propylcyclopentyl)penta-2,4-dien-1-imine
CID 166662523
6-Cycloheptyl-3-cyclooctyl-4-fluorocyclohexa-3,5-diene-1,2-diimine
CID 166682532
3-[(3S)-4-(3-fluoroprop-1-en-2-yl)-3-methyl-5-(3-methylidenecyclopenten-1-yl)cyclopenta-1,4-dien-1-yl]butan-2-imine
CID 166989027

Frequently Asked Questions

What is the IUPAC name of butane;(6Z,8Z)-10-ethyl-2-fluoro-4,6-dimethyl-10,10a-dihydro-1H-benzo[8]annulen-5-imine?
The IUPAC name of butane;(6Z,8Z)-10-ethyl-2-fluoro-4,6-dimethyl-10,10a-dihydro-1H-benzo[8]annulen-5-imine (CID 142313967) is butane;(6Z,8Z)-10-ethyl-2-fluoro-4,6-dimethyl-10,10a-dihydro-1H-benzo[8]annulen-5-imine.
What is the SMILES notation for butane;(6Z,8Z)-10-ethyl-2-fluoro-4,6-dimethyl-10,10a-dihydro-1H-benzo[8]annulen-5-imine?
The canonical SMILES for butane;(6Z,8Z)-10-ethyl-2-fluoro-4,6-dimethyl-10,10a-dihydro-1H-benzo[8]annulen-5-imine is CCCC.[H]/N=C1C2=C(C)C=C(F)CC2C(CC)/C=C\C=C/1C.
What is the InChIKey of butane;(6Z,8Z)-10-ethyl-2-fluoro-4,6-dimethyl-10,10a-dihydro-1H-benzo[8]annulen-5-imine?
The InChIKey is XGFBGIAVELGSAM-UABADDMJSA-N. The full InChI is InChI=1S/C16H20FN.C4H10/c1-4-12-7-5-6-10(2)16(18)15-11(3)8-13(17)9-14(12)15;1-3-4-2/h5-8,12,14,18H,4,9H2,1-3H3;3-4H2,1-2H3/b7-5-,10-6-,18-16+;.
What are the key properties of butane;(6Z,8Z)-10-ethyl-2-fluoro-4,6-dimethyl-10,10a-dihydro-1H-benzo[8]annulen-5-imine?
butane;(6Z,8Z)-10-ethyl-2-fluoro-4,6-dimethyl-10,10a-dihydro-1H-benzo[8]annulen-5-imine has a molecular weight of 303.47 g/mol, XLogP of 6.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;(6Z,8Z)-10-ethyl-2-fluoro-4,6-dimethyl-10,10a-dihydro-1H-benzo[8]annulen-5-imine is sourced from PubChem (CID 142313967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).