N-ethyl-1-[5-(6-fluoro-2-methylcyclohex-2-en-1-yl)-2-methylcyclohepta-1,3-dien-1-yl]methanimine

C18H26FN — CID 155724042

IUPACN-ethyl-1-[5-(6-fluoro-2-methylcyclohex-2-en-1-yl)-2-methylcyclohepta-1,3-dien-1-yl]methanimine
SMILESCC/N=C/C1=C(C)C=CC(C2C(C)=CCCC2F)CC1
InChIInChI=1S/C18H26FN/c1-4-20-12-16-11-10-15(9-8-13(16)2)18-14(3)6-5-7-17(18)19/h6,8-9,12,15,17-18H,4-5,7,10-11H2,1-3H3/b20-12+
InChIKeyBRPWDMMNBFTMOI-UDWIEESQSA-N
MW275.41 g/mol
LogP5.05
Rot. Bonds3

About N-ethyl-1-[5-(6-fluoro-2-methylcyclohex-2-en-1-yl)-2-methylcyclohepta-1,3-dien-1-yl]methanimine

N-ethyl-1-[5-(6-fluoro-2-methylcyclohex-2-en-1-yl)-2-methylcyclohepta-1,3-dien-1-yl]methanimine (PubChem CID 155724042) has the molecular formula C18H26FN and a molecular weight of 275.41 g/mol. Its IUPAC name is N-ethyl-1-[5-(6-fluoro-2-methylcyclohex-2-en-1-yl)-2-methylcyclohepta-1,3-dien-1-yl]methanimine.

Molecular Properties

Compound NameN-ethyl-1-[5-(6-fluoro-2-methylcyclohex-2-en-1-yl)-2-methylcyclohepta-1,3-dien-1-yl]methanimine
PubChem CID155724042
Molecular FormulaC18H26FN
Molecular Weight275.41 g/mol
Exact Mass275.20
IUPAC NameN-ethyl-1-[5-(6-fluoro-2-methylcyclohex-2-en-1-yl)-2-methylcyclohepta-1,3-dien-1-yl]methanimine
SMILESCC/N=C/C1=C(C)C=CC(C2C(C)=CCCC2F)CC1
InChIInChI=1S/C18H26FN/c1-4-20-12-16-11-10-15(9-8-13(16)2)18-14(3)6-5-7-17(18)19/h6,8-9,12,15,17-18H,4-5,7,10-11H2,1-3H3/b20-12+
InChIKeyBRPWDMMNBFTMOI-UDWIEESQSA-N
XLogP5.05
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.41
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-ethyl-1-[5-(6-fluoro-2-methylcyclohex-2-en-1-yl)-2-methylcyclohepta-1,3-dien-1-yl]methanimine with MolForge

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Related Compounds

N-[(E)-2-[6-(4-cyclohexylpent-4-en-2-yl)-5-fluorocyclohexa-2,4-dien-1-yl]prop-1-enyl]ethanimine
CID 135228890
5-[(5-Fluorocyclohepta-2,5-dien-1-yl)methyl]-3-methyl-2,3-dihydropyridine
CID 143931828
(Z)-N-ethyl-2-(2-fluoropropan-2-yl)-3-(5-methylcyclohexa-2,4-dien-1-yl)but-2-en-1-imine
CID 156099727
2-[3-Butyl-6-(1-fluoroethyl)-4-methylcyclohexa-1,5-dien-1-yl]-3-methyliminoprop-1-en-1-amine
CID 173997975
(2Z,4E,6Z,8E)-N-butyl-3,7-difluoro-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine
CID 10545623
(2E,4E,6Z,8E)-N-butyl-7-fluoro-3-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine
CID 10641139
(2Z,4E,6E,8E)-N-butyl-3-fluoro-7-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine
CID 10759823
(2E,4Z,6E,8E)-N-butyl-5-fluoro-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine
CID 11792688
(2Z,4E,6E,8E)-2-fluoro-N,3,7-trimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine
CID 101404444
(2Z,4E,6E,8E)-N-butyl-2-fluoro-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine
CID 101622972
(2Z,4E,6E,8E)-2-fluoro-3,7-dimethyl-N-pentyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine
CID 101622975
(2Z,4E,6E,8E)-N,7-dimethyl-3-(trifluoromethyl)-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine
CID 132558871

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[5-(6-fluoro-2-methylcyclohex-2-en-1-yl)-2-methylcyclohepta-1,3-dien-1-yl]methanimine?
The IUPAC name of N-ethyl-1-[5-(6-fluoro-2-methylcyclohex-2-en-1-yl)-2-methylcyclohepta-1,3-dien-1-yl]methanimine (CID 155724042) is N-ethyl-1-[5-(6-fluoro-2-methylcyclohex-2-en-1-yl)-2-methylcyclohepta-1,3-dien-1-yl]methanimine.
What is the SMILES notation for N-ethyl-1-[5-(6-fluoro-2-methylcyclohex-2-en-1-yl)-2-methylcyclohepta-1,3-dien-1-yl]methanimine?
The canonical SMILES for N-ethyl-1-[5-(6-fluoro-2-methylcyclohex-2-en-1-yl)-2-methylcyclohepta-1,3-dien-1-yl]methanimine is CC/N=C/C1=C(C)C=CC(C2C(C)=CCCC2F)CC1.
What is the InChIKey of N-ethyl-1-[5-(6-fluoro-2-methylcyclohex-2-en-1-yl)-2-methylcyclohepta-1,3-dien-1-yl]methanimine?
The InChIKey is BRPWDMMNBFTMOI-UDWIEESQSA-N. The full InChI is InChI=1S/C18H26FN/c1-4-20-12-16-11-10-15(9-8-13(16)2)18-14(3)6-5-7-17(18)19/h6,8-9,12,15,17-18H,4-5,7,10-11H2,1-3H3/b20-12+.
What are the key properties of N-ethyl-1-[5-(6-fluoro-2-methylcyclohex-2-en-1-yl)-2-methylcyclohepta-1,3-dien-1-yl]methanimine?
N-ethyl-1-[5-(6-fluoro-2-methylcyclohex-2-en-1-yl)-2-methylcyclohepta-1,3-dien-1-yl]methanimine has a molecular weight of 275.41 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[5-(6-fluoro-2-methylcyclohex-2-en-1-yl)-2-methylcyclohepta-1,3-dien-1-yl]methanimine is sourced from PubChem (CID 155724042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).