N-[(4,6-difluoro-4-methylcyclohexa-1,5-dien-1-yl)methyl]-1-(1,8,8-trimethyl-2,9-dimethylidene-6,7-dihydroquinolizin-3-yl)ethenamine

C24H30F2N2 — CID 155308096

IUPACN-[(4,6-difluoro-4-methylcyclohexa-1,5-dien-1-yl)methyl]-1-(1,8,8-trimethyl-2,9-dimethylidene-6,7-dihydroquinolizin-3-yl)ethenamine
SMILESC=C(NCC1=CCC(C)(F)C=C1F)C1=CN2CCC(C)(C)C(=C)C2=C(C)C1=C
InChIInChI=1S/C24H30F2N2/c1-15-16(2)22-17(3)23(5,6)10-11-28(22)14-20(15)18(4)27-13-19-8-9-24(7,26)12-21(19)25/h8,12,14,27H,1,3-4,9-11,13H2,2,5-7H3
InChIKeyLJWZCMSPQJWPAB-UHFFFAOYSA-N
MW384.51 g/mol
LogP6.02
Rot. Bonds4

About N-[(4,6-difluoro-4-methylcyclohexa-1,5-dien-1-yl)methyl]-1-(1,8,8-trimethyl-2,9-dimethylidene-6,7-dihydroquinolizin-3-yl)ethenamine

N-[(4,6-difluoro-4-methylcyclohexa-1,5-dien-1-yl)methyl]-1-(1,8,8-trimethyl-2,9-dimethylidene-6,7-dihydroquinolizin-3-yl)ethenamine (PubChem CID 155308096) has the molecular formula C24H30F2N2 and a molecular weight of 384.51 g/mol. Its IUPAC name is N-[(4,6-difluoro-4-methylcyclohexa-1,5-dien-1-yl)methyl]-1-(1,8,8-trimethyl-2,9-dimethylidene-6,7-dihydroquinolizin-3-yl)ethenamine.

Molecular Properties

Compound NameN-[(4,6-difluoro-4-methylcyclohexa-1,5-dien-1-yl)methyl]-1-(1,8,8-trimethyl-2,9-dimethylidene-6,7-dihydroquinolizin-3-yl)ethenamine
PubChem CID155308096
Molecular FormulaC24H30F2N2
Molecular Weight384.51 g/mol
Exact Mass384.24
IUPAC NameN-[(4,6-difluoro-4-methylcyclohexa-1,5-dien-1-yl)methyl]-1-(1,8,8-trimethyl-2,9-dimethylidene-6,7-dihydroquinolizin-3-yl)ethenamine
SMILESC=C(NCC1=CCC(C)(F)C=C1F)C1=CN2CCC(C)(C)C(=C)C2=C(C)C1=C
InChIInChI=1S/C24H30F2N2/c1-15-16(2)22-17(3)23(5,6)10-11-28(22)14-20(15)18(4)27-13-19-8-9-24(7,26)12-21(19)25/h8,12,14,27H,1,3-4,9-11,13H2,2,5-7H3
InChIKeyLJWZCMSPQJWPAB-UHFFFAOYSA-N
XLogP6.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.51
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4,6-difluoro-4-methylcyclohexa-1,5-dien-1-yl)methyl]-1-(1,8,8-trimethyl-2,9-dimethylidene-6,7-dihydroquinolizin-3-yl)ethenamine with MolForge

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Related Compounds

6-(5-fluorocyclohexa-1,5-dien-1-yl)-2-methyl-N-piperidin-4-yl-3,8a-dihydro-1H-isoquinolin-8-amine
CID 68244407
6-[(3E,5Z)-6-amino-7,7,7-trifluorohepta-3,5-dien-3-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine
CID 89085398
1-[(3Z,5E)-7,7,7-trifluoro-6-methyl-3-piperidin-4-ylhepta-1,3,5-trien-2-yl]piperidine
CID 126750716
1-(3-chloro-6-methylcyclohexa-1,3-dien-1-yl)-N-[[1-(3,3-dimethylbutyl)-3-fluoropiperidin-4-yl]methyl]ethenamine
CID 142385549
5-[(1Z)-3-(4-fluoro-4-methylpiperidin-1-yl)buta-1,3-dienyl]-4-methyl-1,2,3,6-tetrahydropyridine
CID 145128277
6-(1,1-Difluoroethyl)-6-methyl-3-(1-prop-1-en-2-ylpiperidin-4-yl)-1,5-dihydroindole
CID 146409781
(E)-[(2E)-5-methyl-2-[(Z)-3-(1-methylpiperidin-4-yl)prop-2-enylidene]-1-(2,2,2-trifluoroethyl)pyrrol-3-ylidene]methanamine
CID 156712281
2-ethyl-7-fluoro-N-methyl-8-(4-methylpiperazin-1-yl)-4H-quinolizin-1-amine
CID 157813419
6-Fluoro-6-methyl-3-(1-propylpiperidin-4-yl)-1,5-dihydroindole
CID 144855194
1-(2-fluoro-2-methylpropyl)-4-[(1Z)-4-methyl-1-(2-methylidene-1H-pyrrol-3-ylidene)pent-2-enyl]piperidine
CID 144859661
(2Z)-2-ethylidene-5-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-3-methyl-1H-pyridine
CID 166080082
3-Methyl-5-(4-piperidin-1-ylcyclohexa-2,4-dien-1-yl)-1,2-dihydropyridine
CID 118548942

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-difluoro-4-methylcyclohexa-1,5-dien-1-yl)methyl]-1-(1,8,8-trimethyl-2,9-dimethylidene-6,7-dihydroquinolizin-3-yl)ethenamine?
The IUPAC name of N-[(4,6-difluoro-4-methylcyclohexa-1,5-dien-1-yl)methyl]-1-(1,8,8-trimethyl-2,9-dimethylidene-6,7-dihydroquinolizin-3-yl)ethenamine (CID 155308096) is N-[(4,6-difluoro-4-methylcyclohexa-1,5-dien-1-yl)methyl]-1-(1,8,8-trimethyl-2,9-dimethylidene-6,7-dihydroquinolizin-3-yl)ethenamine.
What is the SMILES notation for N-[(4,6-difluoro-4-methylcyclohexa-1,5-dien-1-yl)methyl]-1-(1,8,8-trimethyl-2,9-dimethylidene-6,7-dihydroquinolizin-3-yl)ethenamine?
The canonical SMILES for N-[(4,6-difluoro-4-methylcyclohexa-1,5-dien-1-yl)methyl]-1-(1,8,8-trimethyl-2,9-dimethylidene-6,7-dihydroquinolizin-3-yl)ethenamine is C=C(NCC1=CCC(C)(F)C=C1F)C1=CN2CCC(C)(C)C(=C)C2=C(C)C1=C.
What is the InChIKey of N-[(4,6-difluoro-4-methylcyclohexa-1,5-dien-1-yl)methyl]-1-(1,8,8-trimethyl-2,9-dimethylidene-6,7-dihydroquinolizin-3-yl)ethenamine?
The InChIKey is LJWZCMSPQJWPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F2N2/c1-15-16(2)22-17(3)23(5,6)10-11-28(22)14-20(15)18(4)27-13-19-8-9-24(7,26)12-21(19)25/h8,12,14,27H,1,3-4,9-11,13H2,2,5-7H3.
What are the key properties of N-[(4,6-difluoro-4-methylcyclohexa-1,5-dien-1-yl)methyl]-1-(1,8,8-trimethyl-2,9-dimethylidene-6,7-dihydroquinolizin-3-yl)ethenamine?
N-[(4,6-difluoro-4-methylcyclohexa-1,5-dien-1-yl)methyl]-1-(1,8,8-trimethyl-2,9-dimethylidene-6,7-dihydroquinolizin-3-yl)ethenamine has a molecular weight of 384.51 g/mol, XLogP of 6.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-difluoro-4-methylcyclohexa-1,5-dien-1-yl)methyl]-1-(1,8,8-trimethyl-2,9-dimethylidene-6,7-dihydroquinolizin-3-yl)ethenamine is sourced from PubChem (CID 155308096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).